CID int64 1 171M | Title stringlengths 2 898 | MolecularFormula stringlengths 1 40 | IUPACName stringlengths 3 2.71k ⌀ | InChI stringlengths 10 3.8k | SMILES stringlengths 1 1.71k | Synonyms stringlengths 2 228k |
|---|---|---|---|---|---|---|
169,492,386 | Myxofacycline F | C14H22N2O3 | 4-(2-hexyl-6-oxo-1H-pyrimidin-4-yl)butanoic acid | InChI=1S/C14H22N2O3/c1-2-3-4-5-8-12-15-11(10-13(17)16-12)7-6-9-14(18)19/h10H,2-9H2,1H3,(H,18,19)(H,15,16,17) | CCCCCCC1=NC(=CC(=O)N1)CCCC(=O)O | ['Myxofacycline F'] |
169,492,387 | 4-[(5S)-5-hydroxy-5-(5-methylhexyl)-4-oxo-1H-pyrrol-2-yl]butanoic acid | C15H25NO4 | 4-[(5S)-5-hydroxy-5-(5-methylhexyl)-4-oxo-1H-pyrrol-2-yl]butanoic acid | InChI=1S/C15H25NO4/c1-11(2)6-3-4-9-15(20)13(17)10-12(16-15)7-5-8-14(18)19/h10-11,16,20H,3-9H2,1-2H3,(H,18,19)/t15-/m0/s1 | CC(C)CCCC[C@@]1(C(=O)C=C(N1)CCCC(=O)O)O | [] |
169,492,388 | 3-[(6S,9S,12S,18S,21S,24S,27S,30R,33S,36S)-33-(2-amino-2-oxoethyl)-21-(3-amino-3-oxopropyl)-27-benzyl-18-[(1R)-1-hydroxyethyl]-6,12-bis(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-24-(2-methylsulanylethyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1,4,7,10,13,16,19,22,25,28,31,34-dodecazabicyclo[34.3.0]nonatriacontan-3... | C56H78N14O20S | 3-[(6S,9S,12S,18S,21R,24S,27S,30R,33S,36S)-33-(2-amino-2-oxoethyl)-21-(3-amino-3-oxopropyl)-27-benzyl-18-[(1R)-1-hydroxyethyl]-6,12-bis(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-24-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1,4,7,10,13,16,19,22,25,28,31,34-dodecazabicyclo[34.3.0]nonatriacontan-... | InChI=1S/C56H78N14O20S/c1-28(73)46-56(90)59-24-43(77)61-39(27-72)54(88)66-36(22-30-10-12-31(74)13-11-30)52(86)68-38(26-71)47(81)60-25-44(78)70-19-6-9-40(70)55(89)67-37(23-42(58)76)53(87)63-33(15-17-45(79)80)48(82)65-35(21-29-7-4-3-5-8-29)51(85)64-34(18-20-91-2)49(83)62-32(50(84)69-46)14-16-41(57)75/h3-5,7-8,10-13,28,32... | C[C@H]([C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CCC(=O)N)CCSC)CC3=CC=CC=C3)CCC(=O)O)CC(=O)N)CO)CC4=CC=C(C=C4)O)CO)O | [] |
169,492,389 | Thioangucycline A | C40H38O10S | (3R,7R,12S)-3,7,12-trihydroxy-8-methoxy-3-methyl-6-[[(3R,7R,12S)-3,7,12-trihydroxy-8-methoxy-3-methyl-1-oxo-2,4,7,12-tetrahydrobenzo[a]anthracen-6-yl]sulfanyl]-2,4,7,12-tetrahydrobenzo[a]anthracen-1-one | InChI=1S/C40H38O10S/c1-39(47)13-17-11-25(31-33(27(17)21(41)15-39)35(43)19-7-5-9-23(49-3)29(19)37(31)45)51-26-12-18-14-40(2,48)16-22(42)28(18)34-32(26)38(46)30-20(36(34)44)8-6-10-24(30)50-4/h5-12,35-38,43-48H,13-16H2,1-4H3/t35-,36-,37+,38+,39+,40+/m0/s1 | C[C@]1(CC2=CC(=C3[C@@H](C4=C(C=CC=C4OC)[C@@H](C3=C2C(=O)C1)O)O)SC5=C6[C@@H](C7=C(C=CC=C7OC)[C@@H](C6=C8C(=C5)C[C@@](CC8=O)(C)O)O)O)O | ['Thioangucycline A'] |
169,492,390 | Thioangucycline B | C40H36O10S | (3R,7R)-3,7-dihydroxy-8-methoxy-3-methyl-6-[[(3R,7R,12S)-3,7,12-trihydroxy-8-methoxy-3-methyl-1-oxo-2,4,7,12-tetrahydrobenzo[a]anthracen-6-yl]sulfanyl]-4,7-dihydro-2H-benzo[a]anthracene-1,12-dione | InChI=1S/C40H36O10S/c1-39(47)13-17-11-25(31-33(27(17)21(41)15-39)35(43)19-7-5-9-23(49-3)29(19)37(31)45)51-26-12-18-14-40(2,48)16-22(42)28(18)34-32(26)38(46)30-20(36(34)44)8-6-10-24(30)50-4/h5-12,35,37-38,43,45-48H,13-16H2,1-4H3/t35-,37+,38+,39+,40+/m0/s1 | C[C@]1(CC2=CC(=C3[C@@H](C4=C(C=CC=C4OC)[C@@H](C3=C2C(=O)C1)O)O)SC5=C6[C@@H](C7=C(C=CC=C7OC)C(=O)C6=C8C(=C5)C[C@@](CC8=O)(C)O)O)O | ['Thioangucycline B'] |
169,492,391 | Thioangucycline C | C40H34O10S | (3R)-3-hydroxy-8-methoxy-3-methyl-6-[[(3R,7R,12S)-3,7,12-trihydroxy-8-methoxy-3-methyl-1-oxo-2,4,7,12-tetrahydrobenzo[a]anthracen-6-yl]sulfanyl]-2,4-dihydrobenzo[a]anthracene-1,7,12-trione | InChI=1S/C40H34O10S/c1-39(47)13-17-11-25(31-33(27(17)21(41)15-39)35(43)19-7-5-9-23(49-3)29(19)37(31)45)51-26-12-18-14-40(2,48)16-22(42)28(18)34-32(26)38(46)30-20(36(34)44)8-6-10-24(30)50-4/h5-12,35,37,43,45,47-48H,13-16H2,1-4H3/t35-,37+,39+,40+/m0/s1 | C[C@]1(CC2=CC(=C3[C@@H](C4=C(C=CC=C4OC)[C@@H](C3=C2C(=O)C1)O)O)SC5=C6C(=C7C(=C5)C[C@@](CC7=O)(C)O)C(=O)C8=C(C6=O)C(=CC=C8)OC)O | ['Thioangucycline C'] |
169,492,392 | Thioangucycline D | C40H32O9S | 1-hydroxy-8-methoxy-3-methyl-6-[[(3R,7R,12S)-3,7,12-trihydroxy-8-methoxy-3-methyl-1-oxo-2,4,7,12-tetrahydrobenzo[a]anthracen-6-yl]sulfanyl]benzo[a]anthracene-7,12-dione | InChI=1S/C40H32O9S/c1-17-11-18-13-26(32-34(28(18)22(41)12-17)36(43)20-7-5-9-24(48-3)30(20)38(32)45)50-27-14-19-15-40(2,47)16-23(42)29(19)35-33(27)39(46)31-21(37(35)44)8-6-10-25(31)49-4/h5-14,37,39,41,44,46-47H,15-16H2,1-4H3/t37-,39+,40+/m0/s1 | CC1=CC2=CC(=C3C(=C2C(=C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)SC5=C6[C@@H](C7=C(C=CC=C7OC)[C@@H](C6=C8C(=C5)C[C@@](CC8=O)(C)O)O)O | ['Thioangucycline D'] |
169,492,393 | Thioangucycline E | C40H30O9S | 6-[[(3R,7R)-3,7-dihydroxy-8-methoxy-3-methyl-1,12-dioxo-4,7-dihydro-2H-benzo[a]anthracen-6-yl]sulfanyl]-1-hydroxy-8-methoxy-3-methylbenzo[a]anthracene-7,12-dione | InChI=1S/C40H30O9S/c1-17-11-18-13-26(32-34(28(18)22(41)12-17)36(43)20-7-5-9-24(48-3)30(20)38(32)45)50-27-14-19-15-40(2,47)16-23(42)29(19)35-33(27)39(46)31-21(37(35)44)8-6-10-25(31)49-4/h5-14,39,41,46-47H,15-16H2,1-4H3/t39-,40-/m1/s1 | CC1=CC2=CC(=C3C(=C2C(=C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)SC5=C6[C@@H](C7=C(C=CC=C7OC)C(=O)C6=C8C(=C5)C[C@@](CC8=O)(C)O)O | ['Thioangucycline E'] |
169,492,394 | 3-[(3S,6S,9S,12S,18S,24S,30S,33S,36S)-3,9-bis(2-amino-2-oxoethyl)-33-[(2S)-butan-2-yl]-24-(2-carboxyethyl)-6-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-30-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1,4,7,10,13,16,19,22,25,28,31,34-dodecazabicyclo[34.3.0]nonatriacontan-18-yl]propanoic acid | C61H83N15O19 | 3-[(3R,6S,9S,12S,18S,24S,30S,33S,36S)-3,9-bis(2-amino-2-oxoethyl)-33-[(2S)-butan-2-yl]-24-(2-carboxyethyl)-6-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-30-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1,4,7,10,13,16,19,22,25,28,31,34-dodecazabicyclo[34.3.0]nonatriacontan-18-yl]propanoic acid | InChI=1S/C61H83N15O19/c1-5-31(4)52-60(94)73-39(21-30(2)3)55(89)67-28-48(81)69-37(16-18-50(83)84)53(87)65-27-47(80)68-38(17-19-51(85)86)54(88)66-29-49(82)70-41(23-33-26-64-36-10-7-6-9-35(33)36)57(91)72-42(24-45(62)78)58(92)71-40(22-32-12-14-34(77)15-13-32)56(90)74-43(25-46(63)79)61(95)76-20-8-11-44(76)59(93)75-52/h6-7,9... | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N)CC4=CNC5=CC=CC=C54)CCC(=O)O)CCC(=O)O)CC(C)C | [] |
169,492,395 | Sandarazol A | C30H46N4O7 | (E)-N-[(2R)-3-(dimethylamino)-1-[[(2S)-1-[(2S)-3-hydroxy-4-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-4-[(2R,3R)-3-(3-methylbut-2-enoyl)oxiran-2-yl]but-3-enamide | InChI=1S/C30H46N4O7/c1-16(2)13-21-26(37)19(7)29(39)34(21)30(40)25(18(5)6)32-28(38)20(15-33(8)9)31-24(36)12-10-11-23-27(41-23)22(35)14-17(3)4/h10-11,14,16,18,20-21,23,25,27,37H,12-13,15H2,1-9H3,(H,31,36)(H,32,38)/b11-10+/t20-,21+,23-,25+,27+/m1/s1 | CC1=C([C@@H](N(C1=O)C(=O)[C@H](C(C)C)NC(=O)[C@@H](CN(C)C)NC(=O)C/C=C/[C@@H]2[C@@H](O2)C(=O)C=C(C)C)CC(C)C)O | ['Sandarazol A'] |
169,492,396 | 6-(1,5-Dihydroxypentyl)-4-methoxypyran-2-one | C11H16O5 | 6-[(1S)-1,5-dihydroxypentyl]-4-methoxypyran-2-one | InChI=1S/C11H16O5/c1-15-8-6-10(16-11(14)7-8)9(13)4-2-3-5-12/h6-7,9,12-13H,2-5H2,1H3/t9-/m0/s1 | COC1=CC(=O)OC(=C1)[C@H](CCCCO)O | ['Xylapyrone D', '6-(1,5-dihydroxypentyl)-4-methoxypyran-2-one'] |
169,492,397 | Sandarazol B | C30H48N4O7 | (E)-N-[(2R)-3-(dimethylamino)-1-[[(2S)-1-[(2S)-3-hydroxy-4-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-4-[(2R,3R)-3-(3-methylbutanoyl)oxiran-2-yl]but-3-enamide | InChI=1S/C30H48N4O7/c1-16(2)13-21-26(37)19(7)29(39)34(21)30(40)25(18(5)6)32-28(38)20(15-33(8)9)31-24(36)12-10-11-23-27(41-23)22(35)14-17(3)4/h10-11,16-18,20-21,23,25,27,37H,12-15H2,1-9H3,(H,31,36)(H,32,38)/b11-10+/t20-,21+,23-,25+,27+/m1/s1 | CC1=C([C@@H](N(C1=O)C(=O)[C@H](C(C)C)NC(=O)[C@@H](CN(C)C)NC(=O)C/C=C/[C@@H]2[C@@H](O2)C(=O)CC(C)C)CC(C)C)O | ['Sandarazol B'] |
169,492,398 | Sandarazol E | C30H46N4O6 | (3E,5E)-N-[(2R)-3-(dimethylamino)-1-[[(2S)-1-[(2S)-3-hydroxy-4-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-9-methyl-7-oxodeca-3,5,8-trienamide | InChI=1S/C30H46N4O6/c1-18(2)15-22(35)13-11-10-12-14-25(36)31-23(17-33(8)9)28(38)32-26(20(5)6)30(40)34-24(16-19(3)4)27(37)21(7)29(34)39/h10-13,15,19-20,23-24,26,37H,14,16-17H2,1-9H3,(H,31,36)(H,32,38)/b12-10+,13-11+/t23-,24+,26+/m1/s1 | CC1=C([C@@H](N(C1=O)C(=O)[C@H](C(C)C)NC(=O)[C@@H](CN(C)C)NC(=O)C/C=C/C=C/C(=O)C=C(C)C)CC(C)C)O | ['Sandarazol E'] |
169,492,399 | Sandarazol F | C30H48N4O6 | (3E)-N-[(2R)-3-(dimethylamino)-1-[[(2S)-1-[(2S)-3-hydroxy-4-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-9-methyl-7-oxodeca-3,8-dienamide | InChI=1S/C30H48N4O6/c1-18(2)15-22(35)13-11-10-12-14-25(36)31-23(17-33(8)9)28(38)32-26(20(5)6)30(40)34-24(16-19(3)4)27(37)21(7)29(34)39/h10,12,15,19-20,23-24,26,37H,11,13-14,16-17H2,1-9H3,(H,31,36)(H,32,38)/b12-10+/t23-,24+,26+/m1/s1 | CC1=C([C@@H](N(C1=O)C(=O)[C@H](C(C)C)NC(=O)[C@@H](CN(C)C)NC(=O)C/C=C/CCC(=O)C=C(C)C)CC(C)C)O | ['Sandarazol F'] |
169,492,400 | Sandarazol G | C30H50N4O6 | (E)-N-[(2R)-3-(dimethylamino)-1-[[(2S)-1-[(2S)-3-hydroxy-4-methyl-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-9-methyl-7-oxodec-3-enamide | InChI=1S/C30H50N4O6/c1-18(2)15-22(35)13-11-10-12-14-25(36)31-23(17-33(8)9)28(38)32-26(20(5)6)30(40)34-24(16-19(3)4)27(37)21(7)29(34)39/h10,12,18-20,23-24,26,37H,11,13-17H2,1-9H3,(H,31,36)(H,32,38)/b12-10+/t23-,24+,26+/m1/s1 | CC1=C([C@@H](N(C1=O)C(=O)[C@H](C(C)C)NC(=O)[C@@H](CN(C)C)NC(=O)C/C=C/CCC(=O)CC(C)C)CC(C)C)O | ['Sandarazol G'] |
169,492,401 | Sandarazol C | C29H47ClN4O6 | (2S)-N-[(4S)-2-chloro-6-methyl-3-oxoheptan-4-yl]-2-[[(2R)-3-(dimethylamino)-2-[[(E)-4-[(2R,3R)-3-(3-methylbut-2-enoyl)oxiran-2-yl]but-3-enoyl]amino]propanoyl]amino]-3-methylbutanamide | InChI=1S/C29H47ClN4O6/c1-16(2)13-20(26(37)19(7)30)32-29(39)25(18(5)6)33-28(38)21(15-34(8)9)31-24(36)12-10-11-23-27(40-23)22(35)14-17(3)4/h10-11,14,16,18-21,23,25,27H,12-13,15H2,1-9H3,(H,31,36)(H,32,39)(H,33,38)/b11-10+/t19?,20-,21+,23+,25-,27-/m0/s1 | CC(C)C[C@@H](C(=O)C(C)Cl)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CN(C)C)NC(=O)C/C=C/[C@@H]1[C@@H](O1)C(=O)C=C(C)C | ['Sandarazol C'] |
169,492,402 | Sandarazol D | C29H49ClN4O6 | (2S)-N-[(4S)-2-chloro-6-methyl-3-oxoheptan-4-yl]-2-[[(2R)-3-(dimethylamino)-2-[[(E)-4-[(2R,3R)-3-(3-methylbutanoyl)oxiran-2-yl]but-3-enoyl]amino]propanoyl]amino]-3-methylbutanamide | InChI=1S/C29H49ClN4O6/c1-16(2)13-20(26(37)19(7)30)32-29(39)25(18(5)6)33-28(38)21(15-34(8)9)31-24(36)12-10-11-23-27(40-23)22(35)14-17(3)4/h10-11,16-21,23,25,27H,12-15H2,1-9H3,(H,31,36)(H,32,39)(H,33,38)/b11-10+/t19?,20-,21+,23+,25-,27-/m0/s1 | CC(C)C[C@@H](C(=O)C(C)Cl)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CN(C)C)NC(=O)C/C=C/[C@@H]1[C@@H](O1)C(=O)CC(C)C | ['Sandarazol D'] |
169,492,403 | Pseudovibriamide B4 | C50H71N13O16S | (2S)-2-[[(Z)-1-[[2-[[(2S)-1-[(2S)-2-[4-[[(2S)-5-amino-1-[1-[1-[(2S)-2-amino-3-methylbutanoyl]-3-propanoyloxypyrrolidin-2-yl]-2-carboxyethoxy]-1,5-dioxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxobut-2-en-2-yl]carbamoylamino]-3-(4-hy... | InChI=1S/C50H71N13O16S/c1-5-28(60-50(77)61-31(47(74)75)21-26-11-13-27(64)14-12-26)42(70)56-23-37(66)57-29(9-7-18-55-49(53)54)45(72)62-19-8-10-33(62)44-59-32(24-80-44)43(71)58-30(15-16-36(51)65)48(76)79-35(22-38(67)68)41-34(78-39(69)6-2)17-20-63(41)46(73)40(52)25(3)4/h5,11-14,24-25,29-31,33-35,40-41,64H,6-10,15-23,52H2,... | CCC(=O)OC1CCN(C1C(CC(=O)O)OC(=O)[C@H](CCC(=O)N)NC(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)/C(=C/C)/NC(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)[C@H](C(C)C)N | ['Pseudovibriamide B4'] |
169,492,404 | Pseudovibriamide A1 | C36H49N11O11S | (2S)-5-amino-2-[[2-[(2S)-1-[(2S)-2-[[(2S)-2-[[(Z)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoylamino]but-2-enoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid | InChI=1S/C36H49N11O11S/c1-3-21(45-36(58)46-24(34(56)57)16-19-8-10-20(48)11-9-19)29(51)41-18(2)28(50)42-22(6-4-14-40-35(38)39)32(53)47-15-5-7-26(47)31-44-25(17-59-31)30(52)43-23(33(54)55)12-13-27(37)49/h3,8-11,17-18,22-24,26,48H,4-7,12-16H2,1-2H3,(H2,37,49)(H,41,51)(H,42,50)(H,43,52)(H,54,55)(H,56,57)(H4,38,39,40)(H2,45... | C/C=C(/C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C2=NC(=CS2)C(=O)N[C@@H](CCC(=O)N)C(=O)O)\NC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O | ['Pseudovibriamide A1'] |
169,492,405 | Pseudovibriamide A2 | C36H47N11O10S | (2S)-5-amino-2-[[2-[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(Z)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]but-2-enoyl]amino]propanoyl]amino]pentanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid | InChI=1S/C36H47N11O10S/c1-3-25(47-33(54)23(45-36(47)57)16-19-8-10-20(48)11-9-19)30(52)41-18(2)28(50)42-21(6-4-14-40-35(38)39)32(53)46-15-5-7-26(46)31-44-24(17-58-31)29(51)43-22(34(55)56)12-13-27(37)49/h3,8-11,17-18,21-23,26,48H,4-7,12-16H2,1-2H3,(H2,37,49)(H,41,52)(H,42,50)(H,43,51)(H,45,57)(H,55,56)(H4,38,39,40)/b25-3... | C/C=C(/C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C2=NC(=CS2)C(=O)N[C@@H](CCC(=O)N)C(=O)O)\N3C(=O)[C@@H](NC3=O)CC4=CC=C(C=C4)O | ['Pseudovibriamide A2'] |
169,492,406 | Pseudovibriamide A3 | C35H47N11O11S | (2S)-5-amino-2-[[2-[(2S)-1-[(2S)-2-[[2-[[(Z)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoylamino]but-2-enoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid | InChI=1S/C35H47N11O11S/c1-2-20(44-35(57)45-23(33(55)56)15-18-7-9-19(47)10-8-18)28(50)40-16-27(49)41-21(5-3-13-39-34(37)38)31(52)46-14-4-6-25(46)30-43-24(17-58-30)29(51)42-22(32(53)54)11-12-26(36)48/h2,7-10,17,21-23,25,47H,3-6,11-16H2,1H3,(H2,36,48)(H,40,50)(H,41,49)(H,42,51)(H,53,54)(H,55,56)(H4,37,38,39)(H2,44,45,57)/... | C/C=C(/C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C2=NC(=CS2)C(=O)N[C@@H](CCC(=O)N)C(=O)O)\NC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O | ['Pseudovibriamide A3'] |
169,492,407 | Pseudovibriamide A4 | C35H45N11O10S | (2S)-5-amino-2-[[2-[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[2-[[(Z)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]but-2-enoyl]amino]acetyl]amino]pentanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid | InChI=1S/C35H45N11O10S/c1-2-24(46-32(53)22(44-35(46)56)15-18-7-9-19(47)10-8-18)29(51)40-16-27(49)41-20(5-3-13-39-34(37)38)31(52)45-14-4-6-25(45)30-43-23(17-57-30)28(50)42-21(33(54)55)11-12-26(36)48/h2,7-10,17,20-22,25,47H,3-6,11-16H2,1H3,(H2,36,48)(H,40,51)(H,41,49)(H,42,50)(H,44,56)(H,54,55)(H4,37,38,39)/b24-2-/t20-,2... | C/C=C(/C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C2=NC(=CS2)C(=O)N[C@@H](CCC(=O)N)C(=O)O)\N3C(=O)[C@@H](NC3=O)CC4=CC=C(C=C4)O | ['Pseudovibriamide A4'] |
169,492,408 | Pseudovibriamide A5 | C37H51N11O11S | (2S)-5-amino-2-[[2-[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(Z)-2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoylamino]but-2-enoyl]amino]propanoyl]amino]pentanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid | InChI=1S/C37H51N11O11S/c1-4-22(46-37(58)47-25(35(57)59-3)17-20-9-11-21(49)12-10-20)30(52)42-19(2)29(51)43-23(7-5-15-41-36(39)40)33(54)48-16-6-8-27(48)32-45-26(18-60-32)31(53)44-24(34(55)56)13-14-28(38)50/h4,9-12,18-19,23-25,27,49H,5-8,13-17H2,1-3H3,(H2,38,50)(H,42,52)(H,43,51)(H,44,53)(H,55,56)(H4,39,40,41)(H2,46,47,58... | C/C=C(/C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C2=NC(=CS2)C(=O)N[C@@H](CCC(=O)N)C(=O)O)\NC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)OC | ['Pseudovibriamide A5'] |
169,492,409 | Pseudovibriamide A6 | C37H51N11O11S | (2S)-2-[[(Z)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[4-[[(2S)-5-amino-1-methoxy-1,5-dioxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobut-2-en-2-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid | InChI=1S/C37H51N11O11S/c1-4-22(46-37(58)47-25(34(55)56)17-20-9-11-21(49)12-10-20)30(52)42-19(2)29(51)43-23(7-5-15-41-36(39)40)33(54)48-16-6-8-27(48)32-45-26(18-60-32)31(53)44-24(35(57)59-3)13-14-28(38)50/h4,9-12,18-19,23-25,27,49H,5-8,13-17H2,1-3H3,(H2,38,50)(H,42,52)(H,43,51)(H,44,53)(H,55,56)(H4,39,40,41)(H2,46,47,58... | C/C=C(/C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C2=NC(=CS2)C(=O)N[C@@H](CCC(=O)N)C(=O)OC)\NC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O | ['Pseudovibriamide A6'] |
169,492,410 | Pseudovibriamide B1 | C51H73N13O16S | (2S)-2-[[(Z)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[4-[[(2S)-5-amino-1-[1-[1-[(2S)-2-amino-3-methylbutanoyl]-3-propanoyloxypyrrolidin-2-yl]-2-carboxyethoxy]-1,5-dioxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobut-2-en-2-yl]carbamoylami... | InChI=1S/C51H73N13O16S/c1-6-29(61-51(78)62-32(48(75)76)22-27-12-14-28(65)15-13-27)43(71)57-26(5)42(70)58-30(10-8-19-56-50(54)55)46(73)63-20-9-11-34(63)45-60-33(24-81-45)44(72)59-31(16-17-37(52)66)49(77)80-36(23-38(67)68)41-35(79-39(69)7-2)18-21-64(41)47(74)40(53)25(3)4/h6,12-15,24-26,30-32,34-36,40-41,65H,7-11,16-23,53... | CCC(=O)OC1CCN(C1C(CC(=O)O)OC(=O)[C@H](CCC(=O)N)NC(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)/C(=C/C)/NC(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)[C@H](C(C)C)N | ['Pseudovibriamide B1'] |
169,492,411 | Pseudovibriamide B2 | C52H75N13O16S | (2S)-2-[[(Z)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[4-[[(2S)-5-amino-1-[1-[1-[(2S)-2-amino-3-methylpentanoyl]-3-propanoyloxypyrrolidin-2-yl]-2-carboxyethoxy]-1,5-dioxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobut-2-en-2-yl]carbamoylam... | InChI=1S/C52H75N13O16S/c1-6-26(4)41(54)48(75)65-22-19-36(80-40(70)8-3)42(65)37(24-39(68)69)81-50(78)32(17-18-38(53)67)60-45(73)34-25-82-46(61-34)35-12-10-21-64(35)47(74)31(11-9-20-57-51(55)56)59-43(71)27(5)58-44(72)30(7-2)62-52(79)63-33(49(76)77)23-28-13-15-29(66)16-14-28/h7,13-16,25-27,31-33,35-37,41-42,66H,6,8-12,17-... | CCC(C)[C@@H](C(=O)N1CCC(C1C(CC(=O)O)OC(=O)[C@H](CCC(=O)N)NC(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)/C(=C/C)/NC(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)OC(=O)CC)N | ['Pseudovibriamide B2'] |
169,492,412 | Pseudovibriamide B3 | C52H75N13O16S | (2S)-2-[[(Z)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[4-[[(2S)-5-amino-1-[1-[1-[(2S)-2-amino-4-methylpentanoyl]-3-propanoyloxypyrrolidin-2-yl]-2-carboxyethoxy]-1,5-dioxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobut-2-en-2-yl]carbamoylam... | InChI=1S/C52H75N13O16S/c1-6-31(62-52(79)63-34(49(76)77)23-28-12-14-29(66)15-13-28)44(72)58-27(5)43(71)59-32(10-8-19-57-51(55)56)48(75)64-20-9-11-36(64)46-61-35(25-82-46)45(73)60-33(16-17-39(54)67)50(78)81-38(24-40(68)69)42-37(80-41(70)7-2)18-21-65(42)47(74)30(53)22-26(3)4/h6,12-15,25-27,30,32-34,36-38,42,66H,7-11,16-24... | CCC(=O)OC1CCN(C1C(CC(=O)O)OC(=O)[C@H](CCC(=O)N)NC(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)/C(=C/C)/NC(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)[C@H](CC(C)C)N | ['Pseudovibriamide B3'] |
169,492,413 | Pseudovibriamide B5 | C52H73N13O15S | 3-[(2S)-5-amino-2-[[2-[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(Z)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]but-2-enoyl]amino]propanoyl]amino]pentanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoyl]oxy-3-[1-[(2S)-2-amino-3-methylpentanoyl]-3-propanoyloxypyrrolidin-2-... | InChI=1S/C52H73N13O15S/c1-6-26(4)41(54)49(76)64-22-19-36(79-40(70)8-3)42(64)37(24-39(68)69)80-50(77)31(17-18-38(53)67)60-44(72)33-25-81-46(61-33)35-12-10-21-63(35)47(74)30(11-9-20-57-51(55)56)59-43(71)27(5)58-45(73)34(7-2)65-48(75)32(62-52(65)78)23-28-13-15-29(66)16-14-28/h7,13-16,25-27,30-32,35-37,41-42,66H,6,8-12,17-... | CCC(C)[C@@H](C(=O)N1CCC(C1C(CC(=O)O)OC(=O)[C@H](CCC(=O)N)NC(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)/C(=C/C)/N4C(=O)[C@@H](NC4=O)CC5=CC=C(C=C5)O)OC(=O)CC)N | ['Pseudovibriamide B5'] |
169,492,414 | Pseudovibriamide B6 | C52H73N13O15S | 3-[(2S)-5-amino-2-[[2-[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(Z)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]but-2-enoyl]amino]propanoyl]amino]pentanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoyl]oxy-3-[1-[(2S)-2-amino-4-methylpentanoyl]-3-propanoyloxypyrrolidin-2-... | InChI=1S/C52H73N13O15S/c1-6-35(65-49(76)33(62-52(65)78)23-28-12-14-29(66)15-13-28)45(73)58-27(5)43(71)59-31(10-8-19-57-51(55)56)48(75)63-20-9-11-36(63)46-61-34(25-81-46)44(72)60-32(16-17-39(54)67)50(77)80-38(24-40(68)69)42-37(79-41(70)7-2)18-21-64(42)47(74)30(53)22-26(3)4/h6,12-15,25-27,30-33,36-38,42,66H,7-11,16-24,53... | CCC(=O)OC1CCN(C1C(CC(=O)O)OC(=O)[C@H](CCC(=O)N)NC(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)/C(=C/C)/N4C(=O)[C@@H](NC4=O)CC5=CC=C(C=C5)O)C(=O)[C@H](CC(C)C)N | ['Pseudovibriamide B6'] |
169,492,415 | Nocathioamide A | C54H74N16O15S4 | (8S,31R,37R)-5-[[2-[[2-(1-acetamidoethyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanethioyl]amino]-4,10,18-trimethyl-28-methylidene-31-(2-methylpropyl)-6,11,13,17,20,26,29,32,38,40,43-undecaoxo-3,23-dithia-7,12,16,19,27,30,33,39,41,42-decazatetracyclo[19.18.2.28,25.033,37]tritetracontane-15-carboxylic ac... | InChI=1S/C54H74N16O15S4/c1-22(2)12-32-53(83)70-11-9-10-38(70)49(81)66-36-19-88-27(7)40(69-51(86)31(14-29-16-55-21-56-29)61-48(80)37-20-89-52(67-37)26(6)57-28(8)71)50(82)60-30-13-23(3)41(73)68-39(72)15-33(54(84)85)63-43(75)25(5)59-46(78)35(65-47(36)79)18-87-17-34(64-44(30)76)45(77)58-24(4)42(74)62-32/h16,20-23,25-27,30-... | CC1C[C@H]2C(=O)NC3CSCC(C(=O)NC(C(=O)NC(CC(=O)NC1=O)C(=O)O)C)NC(=O)C(CSC(C(C(=O)N2)NC(=S)C(CC4=CN=CN4)NC(=O)C5=CSC(=N5)C(C)NC(=O)C)C)NC(=O)[C@H]6CCCN6C(=O)[C@H](NC(=O)C(=C)NC3=O)CC(C)C | ['Nocathioamide A'] |
169,492,416 | Nocathioamide B | C54H74N16O16S4 | (8S,31R,37R)-5-[[2-[[2-(1-acetamidoethyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanethioyl]amino]-4,10,18-trimethyl-28-methylidene-31-(2-methylpropyl)-6,11,13,17,20,23,26,29,32,38,40,43-dodecaoxo-3,23λ4-dithia-7,12,16,19,27,30,33,39,41,42-decazatetracyclo[19.18.2.28,25.033,37]tritetracontane-15-carboxyl... | InChI=1S/C54H74N16O16S4/c1-22(2)12-32-53(83)70-11-9-10-38(70)49(81)64-34-17-88-27(7)40(69-51(87)31(14-29-16-55-21-56-29)61-46(78)35-18-89-52(67-35)26(6)57-28(8)71)50(82)60-30-13-23(3)41(73)68-39(72)15-33(54(84)85)63-43(75)25(5)59-48(80)37(66-45(34)77)20-90(86)19-36(65-44(30)76)47(79)58-24(4)42(74)62-32/h16,18,21-23,25-... | CC1C[C@H]2C(=O)NC3CS(=O)CC(C(=O)NC(C(=O)NC(CC(=O)NC1=O)C(=O)O)C)NC(=O)C(CSC(C(C(=O)N2)NC(=S)C(CC4=CN=CN4)NC(=O)C5=CSC(=N5)C(C)NC(=O)C)C)NC(=O)[C@H]6CCCN6C(=O)[C@H](NC(=O)C(=C)NC3=O)CC(C)C | ['Nocathioamide B'] |
169,492,417 | Nocathioamide C | C54H74N16O17S4 | (8S,31R,37R)-5-[[2-[[2-(1-acetamidoethyl)-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanethioyl]amino]-4,10,18-trimethyl-28-methylidene-31-(2-methylpropyl)-3,6,11,13,17,20,23,26,29,32,38,40,43-tridecaoxo-3λ4,23λ4-dithia-7,12,16,19,27,30,33,39,41,42-decazatetracyclo[19.18.2.28,25.033,37]tritetracontane-15-car... | InChI=1S/C54H74N16O17S4/c1-22(2)12-32-53(83)70-11-9-10-38(70)49(81)66-37-20-91(87)27(7)40(69-51(88)31(14-29-16-55-21-56-29)61-45(77)34-17-89-52(67-34)26(6)57-28(8)71)50(82)60-30-13-23(3)41(73)68-39(72)15-33(54(84)85)63-43(75)25(5)59-47(79)36(65-48(37)80)19-90(86)18-35(64-44(30)76)46(78)58-24(4)42(74)62-32/h16-17,21-23,... | CC1C[C@H]2C(=O)NC3CS(=O)CC(C(=O)NC(C(=O)NC(CC(=O)NC1=O)C(=O)O)C)NC(=O)C(CS(=O)C(C(C(=O)N2)NC(=S)C(CC4=CN=CN4)NC(=O)C5=CSC(=N5)C(C)NC(=O)C)C)NC(=O)[C@H]6CCCN6C(=O)[C@H](NC(=O)C(=C)NC3=O)CC(C)C | ['Nocathioamide C'] |
169,492,418 | Calidoustene A | C21H28O6 | [(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-6-hydroxyhexa-2,4-dienoate | InChI=1S/C21H28O6/c1-19(2)9-7-10-20(3)17(19)15(27-16(23)8-5-4-6-11-22)12-14-13-26-18(24)21(14,20)25/h4-6,8,12,15,17,22,25H,7,9-11,13H2,1-3H3/b6-4+,8-5+/t15-,17+,20+,21+/m1/s1 | C[C@]12CCCC([C@@H]1[C@@H](C=C3[C@@]2(C(=O)OC3)O)OC(=O)/C=C/C=C/CO)(C)C | ['Calidoustene A'] |
169,492,419 | Calidoustene B | C23H28O6 | [(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E,6E)-8-oxoocta-2,4,6-trienoate | InChI=1S/C23H28O6/c1-21(2)11-9-12-22(3)19(21)17(14-16-15-28-20(26)23(16,22)27)29-18(25)10-7-5-4-6-8-13-24/h4-8,10,13-14,17,19,27H,9,11-12,15H2,1-3H3/b5-4+,8-6+,10-7+/t17-,19+,22+,23+/m1/s1 | C[C@]12CCCC([C@@H]1[C@@H](C=C3[C@@]2(C(=O)OC3)O)OC(=O)/C=C/C=C/C=C/C=O)(C)C | ['Calidoustene B'] |
169,492,420 | Calidoustene C | C23H30O6 | [(1R,5R,5aS,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate | InChI=1S/C23H30O6/c1-5-6-7-8-9-11-17(24)28-16-14-15-19(25)29-20(26)23(15,27)22(4)13-10-12-21(2,3)18(16)22/h5-9,11,14,16,18,20,26-27H,10,12-13H2,1-4H3/b6-5+,8-7+,11-9+/t16-,18+,20-,22+,23+/m1/s1 | C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2C(=O)O[C@H]([C@@]2([C@@]3([C@@H]1C(CCC3)(C)C)C)O)O | ['Calidoustene C'] |
169,492,421 | Calidoustene D | C23H32O5 | [(3R,5R,5aS,9aS,9bS)-3,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate | InChI=1S/C23H32O5/c1-5-6-7-8-9-11-18(24)28-17-14-16-20(25)27-15-23(16,26)22(4)13-10-12-21(2,3)19(17)22/h5-9,11,14,17,19-20,25-26H,10,12-13,15H2,1-4H3/b6-5+,8-7+,11-9+/t17-,19+,20-,22+,23-/m1/s1 | C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2[C@@H](OC[C@@]2([C@@]3([C@@H]1C(CCC3)(C)C)C)O)O | ['Calidoustene D'] |
169,492,422 | Calidoustene E | C23H30O5 | [(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-3-oxo-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate | InChI=1S/C23H30O5/c1-5-6-7-8-9-11-18(24)28-17-14-16-20(25)27-15-23(16,26)22(4)13-10-12-21(2,3)19(17)22/h5-9,11,14,17,19,26H,10,12-13,15H2,1-4H3/b6-5+,8-7+,11-9+/t17-,19+,22+,23-/m1/s1 | C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2C(=O)OC[C@@]2([C@@]3([C@@H]1C(CCC3)(C)C)C)O | ['Calidoustene E'] |
169,492,423 | Calidoustene F | C23H32O5 | [(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-octa-2,4-dienoate | InChI=1S/C23H32O5/c1-5-6-7-8-9-11-18(24)28-17-14-16-15-27-20(25)23(16,26)22(4)13-10-12-21(2,3)19(17)22/h7-9,11,14,17,19,26H,5-6,10,12-13,15H2,1-4H3/b8-7+,11-9+/t17-,19+,22+,23+/m1/s1 | CCC/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@@]2([C@@]3([C@@H]1C(CCC3)(C)C)C)O | ['Calidoustene F'] |
169,492,424 | Longicatenamide A | C36H54N8O9 | (3R)-3-[(2S,5R,11S,14R,17R)-17-(3-aminopropyl)-5-(1H-indol-3-ylmethyl)-11-(4-methylpentyl)-3,6,9,12,15,18-hexaoxo-14-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-3-hydroxypropanoic acid | InChI=1S/C36H54N8O9/c1-19(2)9-7-12-24-33(50)43-30(20(3)4)35(52)41-25(13-8-14-37)34(51)44-31(27(45)16-29(47)48)36(53)42-26(32(49)39-18-28(46)40-24)15-21-17-38-23-11-6-5-10-22(21)23/h5-6,10-11,17,19-20,24-27,30-31,38,45H,7-9,12-16,18,37H2,1-4H3,(H,39,49)(H,40,46)(H,41,52)(H,42,53)(H,43,50)(H,44,51)(H,47,48)/t24-,25+,26+,... | CC(C)CCC[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N1)CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)O)O)CCCN)C(C)C | ['Longicatenamide A'] |
169,492,425 | (13S,21S,22S,24S)-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-6-[(Z)-3-oxobutan-2-ylideneamino]-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2(11),3,7,9,17,20(25),27-octaene-5,26-dione | C32H30N2O11 | (13S,21S,22S,24S)-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-6-[(Z)-3-oxobutan-2-ylideneamino]-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2(11),3,7,9,17,20(25),27-octaene-5,26-dione | InChI=1S/C32H30N2O11/c1-11-6-14-7-15-8-18-21-23(19(15)25(37)20(14)32(40)34(11)33-12(2)13(3)35)27(39)24-26(38)22-17(41-4)9-16(36)28(42-5)30(22)45-31(24)29(21)44-10-43-18/h6-7,16-18,28,36-37,39H,8-10H2,1-5H3/b33-12-/t16-,17-,18-,28-/m0/s1 | CC1=CC2=CC3=C(C4=C5[C@H](C3)OCOC5=C6C(=C4O)C(=O)C7=C(O6)[C@H]([C@H](C[C@@H]7OC)O)OC)C(=C2C(=O)N1/N=C(/C)\C(=O)C)O | [] |
169,492,426 | Longicatenamide B | C36H54N8O8 | 3-[(2S,5R,11S,14R,17R)-17-(3-aminopropyl)-5-(1H-indol-3-ylmethyl)-11-(4-methylpentyl)-3,6,9,12,15,18-hexaoxo-14-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propanoic acid | InChI=1S/C36H54N8O8/c1-20(2)9-7-12-25-35(51)44-31(21(3)4)36(52)42-26(13-8-16-37)33(49)41-27(14-15-30(46)47)34(50)43-28(32(48)39-19-29(45)40-25)17-22-18-38-24-11-6-5-10-23(22)24/h5-6,10-11,18,20-21,25-28,31,38H,7-9,12-17,19,37H2,1-4H3,(H,39,48)(H,40,45)(H,41,49)(H,42,52)(H,43,50)(H,44,51)(H,46,47)/t25-,26+,27-,28+,31+/m... | CC(C)CCC[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N1)CC2=CNC3=CC=CC=C32)CCC(=O)O)CCCN)C(C)C | ['Longicatenamide B'] |
169,492,427 | Longicatenamide C | C36H54N8O9 | (3R)-3-[(2S,5R,11S,14S,17R)-17-(3-aminopropyl)-5-(1H-indol-3-ylmethyl)-11-(4-methylpentyl)-3,6,9,12,15,18-hexaoxo-14-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-3-hydroxypropanoic acid | InChI=1S/C36H54N8O9/c1-19(2)9-7-12-24-33(50)43-30(20(3)4)35(52)41-25(13-8-14-37)34(51)44-31(27(45)16-29(47)48)36(53)42-26(32(49)39-18-28(46)40-24)15-21-17-38-23-11-6-5-10-22(21)23/h5-6,10-11,17,19-20,24-27,30-31,38,45H,7-9,12-16,18,37H2,1-4H3,(H,39,49)(H,40,46)(H,41,52)(H,42,53)(H,43,50)(H,44,51)(H,47,48)/t24-,25+,26+,... | CC(C)CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N1)CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)O)O)CCCN)C(C)C | ['Longicatenamide C'] |
169,492,428 | Longicatenamide D | C36H54N8O8 | 3-[(2S,5R,11S,14S,17R)-17-(3-aminopropyl)-5-(1H-indol-3-ylmethyl)-11-(4-methylpentyl)-3,6,9,12,15,18-hexaoxo-14-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propanoic acid | InChI=1S/C36H54N8O8/c1-20(2)9-7-12-25-35(51)44-31(21(3)4)36(52)42-26(13-8-16-37)33(49)41-27(14-15-30(46)47)34(50)43-28(32(48)39-19-29(45)40-25)17-22-18-38-24-11-6-5-10-23(22)24/h5-6,10-11,18,20-21,25-28,31,38H,7-9,12-17,19,37H2,1-4H3,(H,39,48)(H,40,45)(H,41,49)(H,42,52)(H,43,50)(H,44,51)(H,46,47)/t25-,26+,27-,28+,31-/m... | CC(C)CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N1)CC2=CNC3=CC=CC=C32)CCC(=O)O)CCCN)C(C)C | ['Longicatenamide D'] |
169,492,429 | Auyuittuqamide A | C50H82N10O12 | (3S,6S,9S,15S,18S,21S,24S,30S)-30-benzyl-24-butan-2-yl-6-(1-hydroxyethyl)-21-(hydroxymethyl)-1,7,16-trimethyl-9-(2-methylpropyl)-3,15,18-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotriacontane-2,5,8,11,14,17,20,23,26,29-decone | InChI=1S/C50H82N10O12/c1-15-30(10)40-45(67)54-34(25-61)43(65)56-39(28(6)7)50(72)59(13)41(29(8)9)46(68)52-23-36(63)53-33(21-26(2)3)48(70)60(14)42(31(11)62)47(69)57-38(27(4)5)49(71)58(12)35(22-32-19-17-16-18-20-32)44(66)51-24-37(64)55-40/h16-20,26-31,33-35,38-42,61-62H,15,21-25H2,1-14H3,(H,51,66)(H,52,68)(H,53,63)(H,54,6... | CCC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NCC(=O)N1)CC2=CC=CC=C2)C)C(C)C)C(C)O)C)CC(C)C)C(C)C)C)C(C)C)CO | ['Auyuittuqamide A'] |
169,492,430 | Auyuittuqamide B | C49H80N10O12 | (3S,6S,9S,15S,18S,21S,24S,30S)-30-benzyl-6-(1-hydroxyethyl)-21-(hydroxymethyl)-1,7,16-trimethyl-9-(2-methylpropyl)-3,15,18,24-tetra(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotriacontane-2,5,8,11,14,17,20,23,26,29-decone | InChI=1S/C49H80N10O12/c1-25(2)20-32-47(69)59(14)41(30(11)61)46(68)56-38(27(5)6)48(70)57(12)34(21-31-18-16-15-17-19-31)43(65)50-23-36(63)54-37(26(3)4)44(66)53-33(24-60)42(64)55-39(28(7)8)49(71)58(13)40(29(9)10)45(67)51-22-35(62)52-32/h15-19,25-30,32-34,37-41,60-61H,20-24H2,1-14H3,(H,50,65)(H,51,67)(H,52,62)(H,53,66)(H,5... | CC(C)C[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NCC(=O)N1)C(C)C)C)C(C)C)CO)C(C)C)CC2=CC=CC=C2)C)C(C)C)C(C)O)C | ['Auyuittuqamide B'] |
169,492,431 | Auyuittuqamide C | C51H84N10O12 | (3S,6S,9S,15S,18S,21S,24S,30S)-30-benzyl-3,24-di(butan-2-yl)-6-(1-hydroxyethyl)-21-(hydroxymethyl)-1,7,16-trimethyl-9-(2-methylpropyl)-15,18-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotriacontane-2,5,8,11,14,17,20,23,26,29-decone | InChI=1S/C51H84N10O12/c1-15-30(9)40-46(68)55-35(26-62)44(66)57-39(28(5)6)50(72)60(13)42(29(7)8)47(69)53-24-37(64)54-34(22-27(3)4)49(71)61(14)43(32(11)63)48(70)58-41(31(10)16-2)51(73)59(12)36(23-33-20-18-17-19-21-33)45(67)52-25-38(65)56-40/h17-21,27-32,34-36,39-43,62-63H,15-16,22-26H2,1-14H3,(H,52,67)(H,53,69)(H,54,64)(... | CCC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NCC(=O)N1)CC2=CC=CC=C2)C)C(C)CC)C(C)O)C)CC(C)C)C(C)C)C)C(C)C)CO | ['Auyuittuqamide C'] |
169,492,432 | Auyuittuqamide D | C52H86N10O12 | (3S,6S,9S,15S,18S,21S,24S,30S)-30-benzyl-3,18,24-tri(butan-2-yl)-6-(1-hydroxyethyl)-21-(hydroxymethyl)-1,7,16-trimethyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazacyclotriacontane-2,5,8,11,14,17,20,23,26,29-decone | InChI=1S/C52H86N10O12/c1-15-30(8)40-47(69)56-36(27-63)45(67)58-42(32(10)17-3)52(74)61(13)43(29(6)7)48(70)54-25-38(65)55-35(23-28(4)5)50(72)62(14)44(33(11)64)49(71)59-41(31(9)16-2)51(73)60(12)37(24-34-21-19-18-20-22-34)46(68)53-26-39(66)57-40/h18-22,28-33,35-37,40-44,63-64H,15-17,23-27H2,1-14H3,(H,53,68)(H,54,70)(H,55,6... | CCC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NCC(=O)N1)CC2=CC=CC=C2)C)C(C)CC)C(C)O)C)CC(C)C)C(C)C)C)C(C)CC)CO | ['Auyuittuqamide D'] |
169,492,433 | Myxochelin O | C13H17N3O3 | N-[4-[(4S)-2-oxo-1,3-oxazolidin-4-yl]butyl]pyridine-3-carboxamide | InChI=1S/C13H17N3O3/c17-12(10-4-3-6-14-8-10)15-7-2-1-5-11-9-19-13(18)16-11/h3-4,6,8,11H,1-2,5,7,9H2,(H,15,17)(H,16,18)/t11-/m0/s1 | C1[C@@H](NC(=O)O1)CCCCNC(=O)C2=CN=CC=C2 | ['Myxochelin O'] |
169,492,434 | Myxochelin N | C18H22N4O3 | N-[(5S)-6-hydroxy-5-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide | InChI=1S/C18H22N4O3/c23-13-16(22-18(25)15-6-4-9-20-12-15)7-1-2-10-21-17(24)14-5-3-8-19-11-14/h3-6,8-9,11-12,16,23H,1-2,7,10,13H2,(H,21,24)(H,22,25)/t16-/m0/s1 | C1=CC(=CN=C1)C(=O)NCCCC[C@@H](CO)NC(=O)C2=CN=CC=C2 | ['Myxochelin N'] |
169,492,435 | N-[4-[(E,3Z)-3-[(5S)-5-(6-methoxy-3,5-dimethyl-4-oxopyran-2-yl)oxolan-3-ylidene]-2-methylprop-1-enyl]phenyl]acetamide | C24H27NO5 | N-[4-[(E,3Z)-3-[(5S)-5-(6-methoxy-3,5-dimethyl-4-oxopyran-2-yl)oxolan-3-ylidene]-2-methylprop-1-enyl]phenyl]acetamide | InChI=1S/C24H27NO5/c1-14(10-18-6-8-20(9-7-18)25-17(4)26)11-19-12-21(29-13-19)23-15(2)22(27)16(3)24(28-5)30-23/h6-11,21H,12-13H2,1-5H3,(H,25,26)/b14-10+,19-11-/t21-/m0/s1 | CC1=C(OC(=C(C1=O)C)OC)[C@@H]2C/C(=C/C(=C/C3=CC=C(C=C3)NC(=O)C)/C)/CO2 | [] |
169,492,436 | Saccharochelin H | C35H63N7O11 | N-[(2S)-5-[formyl(hydroxy)amino]-1-[[(2S)-1-[3-[(2S,5S)-5-[3-[formyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl-hydroxyamino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]-12-methyltetradecanamide | InChI=1S/C35H63N7O11/c1-3-26(2)15-10-8-6-4-5-7-9-11-19-31(46)36-27(16-12-20-40(51)24-44)32(47)39-30(23-43)35(50)42(53)22-14-18-29-34(49)37-28(33(48)38-29)17-13-21-41(52)25-45/h24-30,43,51-53H,3-23H2,1-2H3,(H,36,46)(H,37,49)(H,38,48)(H,39,47)/t26?,27-,28-,29-,30-/m0/s1 | CCC(C)CCCCCCCCCCC(=O)N[C@@H](CCCN(C=O)O)C(=O)N[C@@H](CO)C(=O)N(CCC[C@H]1C(=O)N[C@H](C(=O)N1)CCCN(C=O)O)O | ['Saccharochelin H'] |
169,492,437 | 1-[(5Z)-4-benzoyl-2-benzyl-5-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]piperazin-1-yl]ethanone | C29H28N2O5 | 1-[(2S,5Z)-4-benzoyl-2-benzyl-5-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]piperazin-1-yl]ethanone | InChI=1S/C29H28N2O5/c1-20(32)30-17-25(14-22-15-26(34-2)28-27(16-22)35-19-36-28)31(29(33)23-11-7-4-8-12-23)18-24(30)13-21-9-5-3-6-10-21/h3-12,14-16,24H,13,17-19H2,1-2H3/b25-14-/t24-/m0/s1 | CC(=O)N1C/C(=C/C2=CC3=C(C(=C2)OC)OCO3)/N(C[C@@H]1CC4=CC=CC=C4)C(=O)C5=CC=CC=C5 | ['Helvamide', '1-[(5Z)-4-benzoyl-2-benzyl-5-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]piperazin-1-yl]ethanone'] |
169,492,438 | Marinoterpin A | C35H45NO4 | (6Z)-3-methyl-6-[(5R)-5-[(E,5Z)-2-methyl-5-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]pent-1-enyl]oxolan-3-ylidene]-1-(2-methyl-1-oxidoquinolin-1-ium-3-yl)hexan-1-one | InChI=1S/C35H45NO4/c1-24(2)16-31-19-28(22-39-31)12-8-10-25(3)17-32-20-29(23-40-32)13-9-11-26(4)18-35(37)33-21-30-14-6-7-15-34(30)36(38)27(33)5/h6-7,12-17,21,26,31-32H,8-11,18-20,22-23H2,1-5H3/b25-17+,28-12-,29-13-/t26?,31-,32-/m0/s1 | CC1=[N+](C2=CC=CC=C2C=C1C(=O)CC(C)CC/C=C\3/C[C@@H](OC3)/C=C(\C)/CC/C=C\4/C[C@@H](OC4)C=C(C)C)[O-] | ['Marinoterpin A'] |
169,492,439 | Marinoterpin B | C35H45NO3 | 2-methyl-3-[(E,6Z)-3-methyl-6-[5-[(E,5Z)-2-methyl-5-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]pent-1-enyl]oxolan-3-ylidene]hex-2-enyl]-1-oxidoquinolin-1-ium | InChI=1S/C35H45NO3/c1-25(2)18-33-20-29(23-38-33)13-9-11-27(4)19-34-21-30(24-39-34)12-8-10-26(3)16-17-31-22-32-14-6-7-15-35(32)36(37)28(31)5/h6-7,12-16,18-19,22,33-34H,8-11,17,20-21,23-24H2,1-5H3/b26-16+,27-19+,29-13-,30-12- | CC1=[N+](C2=CC=CC=C2C=C1C/C=C(\C)/CC/C=C\3/CC(OC3)/C=C(\C)/CC/C=C\4/CC(OC4)C=C(C)C)[O-] | ['Marinoterpin B'] |
169,492,440 | Marinoterpin C | C35H45NO3 | [3-[(E,6Z)-3-methyl-6-[5-[(E,5Z)-2-methyl-5-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]pent-1-enyl]oxolan-3-ylidene]hex-2-enyl]quinolin-2-yl]methanol | InChI=1S/C35H45NO3/c1-25(2)17-32-19-28(23-38-32)12-8-10-27(4)18-33-20-29(24-39-33)11-7-9-26(3)15-16-31-21-30-13-5-6-14-34(30)36-35(31)22-37/h5-6,11-15,17-18,21,32-33,37H,7-10,16,19-20,22-24H2,1-4H3/b26-15+,27-18+,28-12-,29-11- | CC(=CC1C/C(=C/CC/C(=C/C2C/C(=C/CC/C(=C/CC3=CC4=CC=CC=C4N=C3CO)/C)/CO2)/C)/CO1)C | ['Marinoterpin C'] |
169,492,441 | Bonnevillamide D | C44H64Cl2N6O14 | (2S,4S)-1-[(2S)-2-[[(2S)-2-[[(2S,4S,5R)-4-acetyloxy-1-[(2S)-2-[[(2S,3R)-2-[[(Z)-3-(3,5-dichloro-4-hydroxyphenyl)-2-methoxyprop-2-enoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]-hydroxyamino]-3-methylbutanoyl]-4-methylazetidine-2-carboxylic acid | InChI=1S/C44H64Cl2N6O14/c1-19(2)12-29(48-40(58)35(24(9)53)49-39(57)34(65-11)17-26-15-27(45)37(55)28(46)16-26)41(59)51-23(8)33(66-25(10)54)18-31(51)38(56)47-30(13-20(3)4)42(60)52(64)36(21(5)6)43(61)50-22(7)14-32(50)44(62)63/h15-17,19-24,29-33,35-36,53,55,64H,12-14,18H2,1-11H3,(H,47,56)(H,48,58)(H,49,57)(H,62,63)/b34-17-... | C[C@H]1C[C@H](N1C(=O)[C@H](C(C)C)N(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2C[C@@H]([C@H](N2C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)/C(=C/C3=CC(=C(C(=C3)Cl)O)Cl)/OC)C)OC(=O)C)O)C(=O)O | ['Bonnevillamide D'] |
169,492,442 | Bonnevillamide E | C44H62Cl2N6O13 | (2S,4S)-1-[(2S)-2-[[(2S)-2-[[(2S,4S,5R)-4-acetyloxy-1-[(2S)-2-[[(Z)-2-[[(Z)-3-(3,5-dichloro-4-hydroxyphenyl)-2-methoxyprop-2-enoyl]amino]but-2-enoyl]amino]-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]-hydroxyamino]-3-methylbutanoyl]-4-methylazetidine-2-carboxylic acid | InChI=1S/C44H62Cl2N6O13/c1-12-29(47-40(57)35(64-11)18-26-16-27(45)37(54)28(46)17-26)38(55)48-30(13-20(2)3)41(58)51-24(9)34(65-25(10)53)19-32(51)39(56)49-31(14-21(4)5)42(59)52(63)36(22(6)7)43(60)50-23(8)15-33(50)44(61)62/h12,16-18,20-24,30-34,36,54,63H,13-15,19H2,1-11H3,(H,47,57)(H,48,55)(H,49,56)(H,61,62)/b29-12-,35-18... | C/C=C(/C(=O)N[C@@H](CC(C)C)C(=O)N1[C@@H]([C@H](C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N([C@@H](C(C)C)C(=O)N2[C@H](C[C@H]2C(=O)O)C)O)OC(=O)C)C)\NC(=O)/C(=C/C3=CC(=C(C(=C3)Cl)O)Cl)/OC | ['Bonnevillamide E'] |
169,492,443 | Cyanochelin A | C35H52N6O14 | 4-[[2-[(1-carboxy-1,3-dihydroxypropan-2-yl)amino]-2-oxoethyl]amino]-2-hydroxy-3-[[2-[[2-[[2-(2-hydroxy-6-undecylphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoic acid | InChI=1S/C35H52N6O14/c1-2-3-4-5-6-7-8-9-10-12-20-13-11-14-23(43)27(20)33-40-22(19-55-33)31(49)37-15-24(44)36-16-26(46)41-28(30(48)35(53)54)32(50)38-17-25(45)39-21(18-42)29(47)34(51)52/h11,13-14,21-22,28-30,42-43,47-48H,2-10,12,15-19H2,1H3,(H,36,44)(H,37,49)(H,38,50)(H,39,45)(H,41,46)(H,51,52)(H,53,54) | CCCCCCCCCCCC1=C(C(=CC=C1)O)C2=NC(CO2)C(=O)NCC(=O)NCC(=O)NC(C(C(=O)O)O)C(=O)NCC(=O)NC(CO)C(C(=O)O)O | ['Cyanochelin A'] |
169,492,444 | Rotihibin C | C36H65N11O13 | 3-[[4-[(2-amino-3-hydroxybutanoyl)amino]-2-[[2-[[5-(carbamoylamino)-2-[[(Z)-dec-2-enoyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]-N'-(4-amino-1-hydroxy-4-oxobutan-2-yl)-2-hydroxybutanediamide | InChI=1S/C36H65N11O13/c1-4-5-6-7-8-9-10-13-25(52)44-22(12-11-15-42-36(40)60)31(55)46-27(20(3)50)34(58)45-23(14-16-41-33(57)26(38)19(2)49)32(56)47-28(29(53)30(39)54)35(59)43-21(18-48)17-24(37)51/h10,13,19-23,26-29,48-50,53H,4-9,11-12,14-18,38H2,1-3H3,(H2,37,51)(H2,39,54)(H,41,57)(H,43,59)(H,44,52)(H,45,58)(H,46,55)(H,47... | CCCCCCC/C=C\C(=O)NC(CCCNC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CCNC(=O)C(C(C)O)N)C(=O)NC(C(C(=O)N)O)C(=O)NC(CC(=O)N)CO | ['Rotihibin C'] |
169,492,445 | Rotihibin D | C37H67N11O13 | 3-[[4-[(2-amino-3-hydroxybutanoyl)amino]-2-[[2-[[5-(carbamoylamino)-2-[[(Z)-undec-2-enoyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]-N'-(4-amino-1-hydroxy-4-oxobutan-2-yl)-2-hydroxybutanediamide | InChI=1S/C37H67N11O13/c1-4-5-6-7-8-9-10-11-14-26(53)45-23(13-12-16-43-37(41)61)32(56)47-28(21(3)51)35(59)46-24(15-17-42-34(58)27(39)20(2)50)33(57)48-29(30(54)31(40)55)36(60)44-22(19-49)18-25(38)52/h11,14,20-24,27-30,49-51,54H,4-10,12-13,15-19,39H2,1-3H3,(H2,38,52)(H2,40,55)(H,42,58)(H,44,60)(H,45,53)(H,46,59)(H,47,56)(... | CCCCCCCC/C=C\C(=O)NC(CCCNC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CCNC(=O)C(C(C)O)N)C(=O)NC(C(C(=O)N)O)C(=O)NC(CC(=O)N)CO | ['Rotihibin D'] |
169,492,446 | Depsibosamycin B | C50H65N9O17 | (2R,3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(carbamoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxy-4-[[(6S,9R,12S)-9-[(4-hydroxy-2-methoxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-4-oxobutanoic acid | InChI=1S/C50H65N9O17/c1-24(2)16-32-42(65)52-22-39(63)76-23-37(47(70)56-36(45(68)53-32)20-28-10-15-31(62)21-38(28)75-5)57-48(71)40(41(64)49(72)73)59-46(69)33(17-25(3)4)54-43(66)34(18-26-6-11-29(60)12-7-26)55-44(67)35(58-50(51)74)19-27-8-13-30(61)14-9-27/h6-15,21,24-25,32-37,40-41,60-62,64H,16-20,22-23H2,1-5H3,(H,52,65)(... | CC(C)C[C@H]1C(=O)NCC(=O)OC[C@@H](C(=O)N[C@@H](C(=O)N1)CC2=C(C=C(C=C2)O)OC)NC(=O)[C@H]([C@H](C(=O)O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)N | ['Depsibosamycin B'] |
169,492,447 | 7,14-Dihydroxy-10-methoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-3-one | C15H10O6 | (10S)-7,14-dihydroxy-10-methoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-3-one | InChI=1S/C15H10O6/c1-19-15-7-3-5-8(16)12-11(7)10-6(14(18)20-12)2-4-9(17)13(10)21-15/h2-5,15-17H,1H3/t15-/m0/s1 | CO[C@@H]1C2=C3C4=C(C=CC(=C4O1)O)C(=O)OC3=C(C=C2)O | ['Nigricanin'] |
169,492,448 | Depsibosamycin C | C51H65N9O19 | (2R,3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-(carboxycarbamoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxy-4-[[(6S,9R,12S)-9-[(4-hydroxy-2-methoxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-4-oxobutanoic aci... | InChI=1S/C51H65N9O19/c1-24(2)16-32-42(66)52-22-39(64)79-23-37(47(71)56-36(45(69)53-32)20-28-10-15-31(63)21-38(28)78-5)57-48(72)40(41(65)49(73)74)59-46(70)33(17-25(3)4)54-43(67)34(18-26-6-11-29(61)12-7-26)55-44(68)35(58-50(75)60-51(76)77)19-27-8-13-30(62)14-9-27/h6-15,21,24-25,32-37,40-41,61-63,65H,16-20,22-23H2,1-5H3,(... | CC(C)C[C@H]1C(=O)NCC(=O)OC[C@@H](C(=O)N[C@@H](C(=O)N1)CC2=C(C=C(C=C2)O)OC)NC(=O)[C@H]([C@H](C(=O)O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)NC(=O)O | ['Depsibosamycin C'] |
169,492,449 | Depsibosamycin D | C51H66N8O17 | (2R,3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-2-hydroxy-4-[[(6S,9R,12S)-9-[(4-hydroxy-2-methoxyphenyl)methyl]-6-(2-methylpropyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-4-oxobutanoic acid | InChI=1S/C51H66N8O17/c1-25(2)17-34-44(66)52-23-41(64)76-24-39(49(71)57-38(47(69)54-34)21-30-11-16-33(63)22-40(30)75-6)58-50(72)42(43(65)51(73)74)59-48(70)35(18-26(3)4)55-46(68)37(20-29-9-14-32(62)15-10-29)56-45(67)36(53-27(5)60)19-28-7-12-31(61)13-8-28/h7-16,22,25-26,34-39,42-43,61-63,65H,17-21,23-24H2,1-6H3,(H,52,66)(... | CC(C)C[C@H]1C(=O)NCC(=O)OC[C@@H](C(=O)N[C@@H](C(=O)N1)CC2=C(C=C(C=C2)O)OC)NC(=O)[C@H]([C@H](C(=O)O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C | ['Depsibosamycin D'] |
169,492,450 | Cyclofaulknamycin | C34H53N9O9 | (3R,6S,9R,12S,15R,18S)-3-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-15,18-bis[(1R)-1-hydroxyethyl]-12-[(R)-hydroxy(phenyl)methyl]-9-(2-methylpropyl)-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone | InChI=1S/C34H53N9O9/c1-15(2)14-21-28(47)39-22(16(3)4)29(48)42-25(20-12-13-36-34(35)38-20)32(51)41-23(17(5)44)30(49)40-24(18(6)45)31(50)43-26(33(52)37-21)27(46)19-10-8-7-9-11-19/h7-11,15-18,20-27,44-46H,12-14H2,1-6H3,(H,37,52)(H,39,47)(H,40,49)(H,41,51)(H,42,48)(H,43,50)(H3,35,36,38)/t17-,18-,20+,21-,22+,23+,24-,25-,26+... | C[C@H]([C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)[C@@H]2CCN=C(N2)N)C(C)C)CC(C)C)[C@@H](C3=CC=CC=C3)O)[C@@H](C)O)O | ['Cyclofaulknamycin'] |
169,492,451 | Iso-faulknamycin | C34H55N9O10 | (2S,3R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2R,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxy-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-2-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]acetyl]amino]-3-hydroxybutanoic acid | InChI=1S/C34H55N9O10/c1-15(2)14-21(38-32(51)26(43-29(48)22(35)17(5)44)27(46)19-10-8-7-9-11-19)28(47)40-23(16(3)4)30(49)42-25(20-12-13-37-34(36)39-20)31(50)41-24(18(6)45)33(52)53/h7-11,15-18,20-27,44-46H,12-14,35H2,1-6H3,(H,38,51)(H,40,47)(H,41,50)(H,42,49)(H,43,48)(H,52,53)(H3,36,37,39)/t17-,18-,20+,21-,22-,23+,24+,25-... | C[C@H]([C@H](C(=O)N[C@@H]([C@@H](C1=CC=CC=C1)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@@H]2CCN=C(N2)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N)O | ['Iso-faulknamycin'] |
169,492,452 | Bonsecamin | C18H31N5O7 | (2R,8S,11S,14S)-5-(hydroxymethyl)-3,8,11-trimethyl-6,9,12,15-tetraoxo-14-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2-carboxylic acid | InChI=1S/C18H31N5O7/c1-7(2)12-17(28)23-13(18(29)30)8(3)19-11(6-24)16(27)21-9(4)14(25)20-10(5)15(26)22-12/h7-13,19,24H,6H2,1-5H3,(H,20,25)(H,21,27)(H,22,26)(H,23,28)(H,29,30)/t8?,9-,10-,11?,12-,13+/m0/s1 | C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(NC(C(=O)N[C@H](C(=O)N1)C)CO)C)C(=O)O)C(C)C | ['Bonsecamin'] |
169,492,453 | Coprisamide C | C47H70N8O11 | (2S)-2-[(3S,6S,9S,12R,15R)-6-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-15-[[(2R)-2-[[(E)-3-[2-[(1Z,3E)-6-methylhepta-1,3-dienyl]phenyl]prop-2-enoyl]amino]propanoyl]amino]-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-9-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-3-yl]propanoic acid | InChI=1S/C47H70N8O11/c1-25(2)16-12-11-13-17-31-18-14-15-19-32(31)20-21-36(56)50-30(10)40(57)53-35-24-66-47(65)39(29(9)46(63)64)55-42(59)34(23-49-44(61)37(48)27(5)6)52-45(62)38(28(7)8)54-41(58)33(22-26(3)4)51-43(35)60/h11-15,17-21,25-30,33-35,37-39H,16,22-24,48H2,1-10H3,(H,49,61)(H,50,56)(H,51,60)(H,52,62)(H,53,57)(H,54... | C[C@@H]([C@H]1C(=O)OC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CNC(=O)[C@H](C(C)C)N)C(C)C)CC(C)C)NC(=O)[C@@H](C)NC(=O)/C=C/C2=CC=CC=C2/C=C\C=C\CC(C)C)C(=O)O | ['Coprisamide C'] |
169,492,454 | [(1R,3'R,4S,4'S,5'R,6S,6'S,8R,10Z,12R,13S,14Z,16Z,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-4'-(2-methylpropanoyloxy)-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylbutanoate | C44H64O12 | [(1R,3'R,4S,4'S,5'R,6S,6'S,8R,10Z,12R,13S,14Z,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',24-dihydroxy-21-methoxy-5',11,13,22-tetramethyl-4'-(2-methylpropanoyloxy)-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylbutanoate | InChI=1S/C44H64O12/c1-12-24(5)35-29(10)37(54-40(46)23(3)4)38(45)43(56-35)21-32-20-31(55-43)18-17-27(8)34(53-41(47)25(6)13-2)26(7)15-14-16-30-22-51-39-36(50-11)28(9)19-33(42(48)52-32)44(30,39)49/h12,14-17,19,23,25-26,29,31-39,45,49H,13,18,20-22H2,1-11H3/b15-14-,24-12+,27-17-,30-16+/t25?,26-,29+,31+,32-,33-,34+,35+,36+,3... | CCC(C)C(=O)O[C@@H]/1[C@H](/C=C\C=C\2/CO[C@H]3[C@@]2([C@@H](C=C([C@H]3OC)C)C(=O)O[C@H]4C[C@@H](C/C=C1/C)O[C@]5(C4)[C@@H]([C@H]([C@@H]([C@H](O5)/C(=C/C)/C)C)OC(=O)C(C)C)O)O)C | [] |
169,492,455 | Luminmide C | C33H53N5O5 | 3-benzyl-9-butan-2-yl-6,12,15-tris(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone | InChI=1S/C33H53N5O5/c1-9-22(8)28-33(43)37-25(16-20(4)5)30(40)36-27(18-23-13-11-10-12-14-23)31(41)34-24(15-19(2)3)29(39)35-26(17-21(6)7)32(42)38-28/h10-14,19-22,24-28H,9,15-18H2,1-8H3,(H,34,41)(H,35,39)(H,36,40)(H,37,43)(H,38,42) | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CC(C)C)CC2=CC=CC=C2)CC(C)C | ['Luminmide C'] |
169,492,456 | (4S,6E)-10-acetyl-9,11-dihydroxy-4-methyl-4,5-dihydro-1H-3-benzoxecine-2,8-dione | C16H16O6 | (4S,6E)-10-acetyl-9,11-dihydroxy-4-methyl-4,5-dihydro-1H-3-benzoxecine-2,8-dione | InChI=1S/C16H16O6/c1-8-4-3-5-11(18)15-10(7-13(20)22-8)6-12(19)14(9(2)17)16(15)21/h3,5-6,8,19,21H,4,7H2,1-2H3/b5-3+/t8-/m0/s1 | C[C@H]1C/C=C/C(=O)C2=C(C(=C(C=C2CC(=O)O1)O)C(=O)C)O | [] |
169,492,457 | Streptophenazine Q | C25H27N3O7 | (2R)-2-[(S)-(2-formamidoacetyl)oxy-(6-methoxycarbonylphenazin-1-yl)methyl]-5-methylhexanoic acid | InChI=1S/C25H27N3O7/c1-14(2)10-11-17(24(31)32)23(35-20(30)12-26-13-29)15-6-4-8-18-21(15)27-19-9-5-7-16(22(19)28-18)25(33)34-3/h4-9,13-14,17,23H,10-12H2,1-3H3,(H,26,29)(H,31,32)/t17-,23-/m1/s1 | CC(C)CC[C@H]([C@@H](C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)OC(=O)CNC=O)C(=O)O | ['Streptophenazine Q'] |
169,492,458 | 1,7,8-trihydroxy-3-methyl-10-oxo-1H-pyrano[4,3-b]chromene-9-carboxylic acid | C14H10O8 | (1S)-1,7,8-trihydroxy-3-methyl-10-oxo-1H-pyrano[4,3-b]chromene-9-carboxylic acid | InChI=1S/C14H10O8/c1-4-2-6-9(14(20)21-4)12(17)8-7(22-6)3-5(15)11(16)10(8)13(18)19/h2-3,14-16,20H,1H3,(H,18,19)/t14-/m0/s1 | CC1=CC2=C([C@H](O1)O)C(=O)C3=C(O2)C=C(C(=C3C(=O)O)O)O | ['Flupyranochromene'] |
169,492,459 | Streptophenazine R | C25H27N3O7 | (2R)-2-[(S)-(2-formamidoacetyl)oxy-(6-methoxycarbonylphenazin-1-yl)methyl]heptanoic acid | InChI=1S/C25H27N3O7/c1-3-4-5-8-17(24(31)32)23(35-20(30)13-26-14-29)15-9-6-11-18-21(15)27-19-12-7-10-16(22(19)28-18)25(33)34-2/h6-7,9-12,14,17,23H,3-5,8,13H2,1-2H3,(H,26,29)(H,31,32)/t17-,23-/m1/s1 | CCCCC[C@H]([C@@H](C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)OC(=O)CNC=O)C(=O)O | ['Streptophenazine R'] |
169,492,460 | 2-[[16-[[2-[[2-[[2-Amino-2-(3,5-dihydroxyphenyl)acetyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-19,25-bis(3,5-dihydroxyphenyl)-37-hydroxy-17,20,23,26-tetraoxo-2-oxa-13,18,21,24,27-pentazahexacyclo[28.2.2.13,7.18,12.111,14.05,22]heptatriaconta-1(32),3,5,7(37),8(36),9,11,14(35),30,33-decaene-28... | C73H68N10O22 | 2-[[16-[[2-[[2-[[2-amino-2-(3,5-dihydroxyphenyl)acetyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-19,25-bis(3,5-dihydroxyphenyl)-37-hydroxy-17,20,23,26-tetraoxo-2-oxa-13,18,21,24,27-pentazahexacyclo[28.2.2.13,7.18,12.111,14.05,22]heptatriaconta-1(32),3,5,7(37),8(36),9,11,14(35),30,33-decaene-28... | InChI=1S/C73H68N10O22/c1-30(2)58(78-70(100)61(37-17-47(90)28-48(91)18-37)80-67(97)57(74)34-11-41(84)25-42(85)12-34)68(98)77-55-24-40-10-33-6-5-32(22-53(33)75-40)52-21-39-23-56(64(52)94)105-51-7-3-31(4-8-51)9-54(65(95)83-63(73(103)104)38-19-49(92)29-50(93)20-38)76-69(99)59(35-13-43(86)26-44(87)14-35)81-72(102)62(39)82-7... | CC(C)C(C(=O)NC1CC2=CC3=C(N2)C=C(C=C3)C4=C(C5=CC(=C4)C(C(=O)NC(C(=O)NC(CC6=CC=C(O5)C=C6)C(=O)NC(C7=CC(=CC(=C7)O)O)C(=O)O)C8=CC(=CC(=C8)O)O)NC(=O)C(NC1=O)C9=CC(=CC(=C9)O)O)O)NC(=O)C(C1=CC(=CC(=C1)O)O)NC(=O)C(C1=CC(=CC(=C1)O)O)N | [] |
169,492,461 | Deacyl-GP1416 | C78H80ClN9O32 | 2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-amino-64-[(2R,3S,4R,5R,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-chloro-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-h... | InChI=1S/C78H80ClN9O32/c1-26(92)82-58-64(101)61(98)49(24-90)117-77(58)119-67-30-6-11-43(39(79)16-30)114-47-19-32-18-46(68(47)120-76-53(81)63(100)60(97)48(23-89)116-76)112-35-7-2-27(3-8-35)12-40-69(104)84-55(31-13-33(93)20-36(14-31)113-44-17-28(4-10-42(44)96)52(80)70(105)83-40)72(107)86-56(32)73(108)85-54-29-5-9-41(95)3... | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC2C3C(=O)NC(C4=C(C(=CC(=C4)O)O[C@@H]5[C@H]([C@H]([C@@H](C(O5)CO)O)O)O)C6=C(C=CC(=C6)C(C(=O)N3)NC(=O)C7C8=CC(=C(C(=C8)OC9=C(C=C2C=C9)Cl)O[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)N)OC1=CC=C(CC2C(=O)NC(C3=CC(=CC(=C3)OC3=C(C=CC(=C3)C(C(=O)N2)N)O)O)C(=O)N7)C=C1)O)C(=O)O)CO)O)O | [] |
169,492,462 | Speibonoxamine | C27H50N6O6 | N-(5-acetamidopentyl)-N'-[5-[[4-(5-acetamidopentylamino)-4-oxobutanoyl]amino]pentyl]butanediamide | InChI=1S/C27H50N6O6/c1-22(34)28-16-6-3-8-18-30-24(36)12-14-26(38)32-20-10-5-11-21-33-27(39)15-13-25(37)31-19-9-4-7-17-29-23(2)35/h3-21H2,1-2H3,(H,28,34)(H,29,35)(H,30,36)(H,31,37)(H,32,38)(H,33,39) | CC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)CCC(=O)NCCCCCNC(=O)C | ['Speibonoxamine'] |
169,492,463 | Desoxy-desferrioxamine D1 | C27H50N6O8 | N-(5-acetamidopentyl)-N'-[5-[[4-[5-acetamidopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide | InChI=1S/C27H50N6O8/c1-22(34)28-16-6-3-7-18-30-24(36)12-14-27(39)33(41)21-11-5-9-19-31-25(37)13-15-26(38)32(40)20-10-4-8-17-29-23(2)35/h40-41H,3-21H2,1-2H3,(H,28,34)(H,29,35)(H,30,36)(H,31,37) | CC(=O)NCCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)C)O)O | ['Desoxy-desferrioxamine D1'] |
169,492,464 | N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[(E)-dec-4-enoyl]amino]pentyl]-N'-hydroxybutanediamide | C26H48N4O6 | N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[(E)-dec-4-enoyl]amino]pentyl]-N'-hydroxybutanediamide | InChI=1S/C26H48N4O6/c1-3-4-5-6-7-8-11-16-24(32)27-19-13-10-15-22-30(36)26(34)18-17-25(33)28-20-12-9-14-21-29(35)23(2)31/h7-8,35-36H,3-6,9-22H2,1-2H3,(H,27,32)(H,28,33)/b8-7+ | CCCCC/C=C/CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O | [] |
169,492,465 | Metachelin A-CE | C45H71N5O22 | [(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-3-methyl-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] (E)-5-[hydroxy-[(E)-3-methyl-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-en... | InChI=1S/C45H71N5O22/c1-25(11-17-68-35(56)10-4-5-14-48(65)32(53)21-26(2)12-18-69-44-40(61)38(59)36(57)30(23-51)71-44)20-33(54)49(66)15-6-8-28-42(63)47-29(43(64)46-28)9-7-16-50(67)34(55)22-27(3)13-19-70-45-41(62)39(60)37(58)31(24-52)72-45/h4,10,20-22,28-31,36-41,44-45,51-52,57-62,65-67H,5-9,11-19,23-24H2,1-3H3,(H,46,64)... | C/C(=C\C(=O)N(CCC[C@H]1C(=O)N[C@H](C(=O)N1)CCCN(C(=O)/C=C(\C)/CCOC(=O)/C=C/CCN(C(=O)/C=C(\C)/CCO[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/CCO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | ['Metachelin A-CE'] |
169,492,466 | Metachelin C | C41H68N6O18 | (2S)-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]-1-[(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-3-methyl-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enoxy]-N,N-dimethyl-1-oxopentan-2-amine oxide | InChI=1S/C41H68N6O18/c1-25(12-18-48)21-32(50)46(61)17-8-11-30(47(4,5)62)40(58)63-19-13-26(2)22-33(51)44(59)15-6-9-28-38(56)43-29(39(57)42-28)10-7-16-45(60)34(52)23-27(3)14-20-64-41-37(55)36(54)35(53)31(24-49)65-41/h21-23,28-31,35-37,41,48-49,53-55,59-61H,6-20,24H2,1-5H3,(H,42,57)(H,43,56)/b25-21+,26-22+,27-23+/t28-,29-... | C/C(=C\C(=O)N(CCC[C@@H](C(=O)OCC/C(=C/C(=O)N(CCC[C@H]1C(=O)N[C@H](C(=O)N1)CCCN(C(=O)/C=C(\C)/CCO[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)/C)[N+](C)(C)[O-])O)/CCO | ['Metachelin C'] |
169,492,467 | Thatisin | C89H127N25O34 | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(1S,4S,10S,16S,20R,21S,30S,33S,42R,43S,46S,49S)-33-(2-amino-2-oxoethyl)-43-[[(2S,3R)-2-[[(2S)-3-carboxy-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-4-(carboxymethyl)-46-(1H-imidazol-5-ylmethyl)-20,42,49-trimethyl-2,5,11,14,18,22,25,31,... | InChI=1S/C89H127N25O34/c1-40(2)25-56(89(145)146)108-77(133)48(26-45-15-8-7-9-16-45)103-78(134)52(30-66(123)124)105-83(139)59-20-14-24-114(59)88(144)55-33-69(128)147-43(5)71-84(140)97-38-64(120)112-22-12-19-58(112)82(138)104-50(28-60(92)116)75(131)95-36-62(118)101-53(79(135)107-54(31-67(125)126)87(143)113-23-13-18-57(11... | C[C@@H]1[C@H]2C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)C)CC4=CN=CN4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)N)C)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)NCC(=O)N[C@@H](CC(=O)O1)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC7=CC... | ['Thatisin'] |
169,492,468 | Hancockinone A | C24H22O7 | (3aR)-1-acetyl-3a,7,9,10-tetrahydroxy-5-(3-methylbut-2-enyl)-3,4-dihydrocyclopenta[b]anthracene-2,11-dione | InChI=1S/C24H22O7/c1-10(2)4-5-13-14-6-12(26)7-16(27)19(14)22(29)20-15(13)8-24(31)9-17(28)18(11(3)25)21(24)23(20)30/h4,6-7,26-27,29,31H,5,8-9H2,1-3H3/t24-/m1/s1 | CC(=CCC1=C2C=C(C=C(C2=C(C3=C1C[C@]4(CC(=O)C(=C4C3=O)C(=O)C)O)O)O)O)C | ['Hancockinone A'] |
169,492,469 | Myxarylin | C22H29N5O5 | (8S,11S,14S)-19-hydroxy-14-(methylamino)-11-(2-methylpropyl)-10,13-dioxo-2,4,9,12-tetrazatricyclo[14.3.1.02,6]icosa-1(19),3,5,16(20),17-pentaene-8-carboxylic acid | InChI=1S/C22H29N5O5/c1-12(2)6-16-21(30)26-17(22(31)32)9-14-10-24-11-27(14)18-8-13(4-5-19(18)28)7-15(23-3)20(29)25-16/h4-5,8,10-12,15-17,23,28H,6-7,9H2,1-3H3,(H,25,29)(H,26,30)(H,31,32)/t15-,16-,17-/m0/s1 | CC(C)C[C@H]1C(=O)N[C@@H](CC2=CN=CN2C3=C(C=CC(=C3)C[C@@H](C(=O)N1)NC)O)C(=O)O | ['Myxarylin'] |
169,492,470 | Attinimicin | C27H37N7O11 | (4S)-N-[3-[[(2R)-1-[[(2S)-5-[formyl(hydroxy)amino]-1-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-oxopropyl]-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide | InChI=1S/C27H37N7O11/c35-13-19(29-22(38)9-10-28-23(39)20-14-45-26(32-20)16-5-1-2-8-21(16)37)25(41)30-17(6-3-11-33(43)15-36)24(40)31-18-7-4-12-34(44)27(18)42/h1-2,5,8,15,17-20,35,37,43-44H,3-4,6-7,9-14H2,(H,28,39)(H,29,38)(H,30,41)(H,31,40)/t17-,18-,19+,20-/m0/s1 | C1C[C@@H](C(=O)N(C1)O)NC(=O)[C@H](CCCN(C=O)O)NC(=O)[C@@H](CO)NC(=O)CCNC(=O)[C@@H]2COC(=N2)C3=CC=CC=C3O | ['Attinimicin'] |
169,492,471 | Bacillibactin E | C38H41N7O16 | N-[2-[[(2R,3S,6R,7S,10R,11S)-7,11-bis[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododec-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide | InChI=1S/C38H41N7O16/c1-17-28(43-25(48)14-40-33(53)20-7-6-12-39-13-20)36(56)60-18(2)29(44-26(49)15-41-34(54)21-8-4-10-23(46)31(21)51)38(58)61-19(3)30(37(57)59-17)45-27(50)16-42-35(55)22-9-5-11-24(47)32(22)52/h4-13,17-19,28-30,46-47,51-52H,14-16H2,1-3H3,(H,40,53)(H,41,54)(H,42,55)(H,43,48)(H,44,49)(H,45,50)/t17-,18-,19-... | C[C@@H]1[C@@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@@H]([C@@H](C(=O)O1)NC(=O)CNC(=O)C2=C(C(=CC=C2)O)O)C)NC(=O)CNC(=O)C3=C(C(=CC=C3)O)O)C)NC(=O)CNC(=O)C4=CN=CC=C4 | ['Bacillibactin E'] |
169,492,472 | Bacillibactin F | C39H42N6O16 | N-[2-[[(2R,3S,6R,7S,10R,11S)-11-[(2-benzamidoacetyl)amino]-7-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododec-3-yl]amino]-2-oxoethyl]-2,3-dihydroxybenzamide | InChI=1S/C39H42N6O16/c1-18-29(43-26(48)15-40-34(53)21-9-5-4-6-10-21)37(56)60-19(2)30(44-27(49)16-41-35(54)22-11-7-13-24(46)32(22)51)39(58)61-20(3)31(38(57)59-18)45-28(50)17-42-36(55)23-12-8-14-25(47)33(23)52/h4-14,18-20,29-31,46-47,51-52H,15-17H2,1-3H3,(H,40,53)(H,41,54)(H,42,55)(H,43,48)(H,44,49)(H,45,50)/t18-,19-,20-... | C[C@@H]1[C@@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@@H]([C@@H](C(=O)O1)NC(=O)CNC(=O)C2=C(C(=CC=C2)O)O)C)NC(=O)CNC(=O)C3=C(C(=CC=C3)O)O)C)NC(=O)CNC(=O)C4=CC=CC=C4 | ['Bacillibactin F'] |
169,492,473 | Serrawettin W2-FV8 | C35H55N5O9 | 6-benzyl-9-(1-hydroxyethyl)-12-(hydroxymethyl)-15-(2-methylpropyl)-19-pentyl-3-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone | InChI=1S/C35H55N5O9/c1-7-8-10-15-24-18-28(43)36-25(16-20(2)3)31(44)38-27(19-41)33(46)40-30(22(6)42)34(47)37-26(17-23-13-11-9-12-14-23)32(45)39-29(21(4)5)35(48)49-24/h9,11-14,20-22,24-27,29-30,41-42H,7-8,10,15-19H2,1-6H3,(H,36,43)(H,37,47)(H,38,44)(H,39,45)(H,40,46) | CCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)CC2=CC=CC=C2)C(C)O)CO)CC(C)C | ['Serrawettin W2-FV8'] |
169,492,474 | Serrawettin W2-YV10 | C37H59N5O10 | 19-heptyl-9-(1-hydroxyethyl)-12-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-15-(2-methylpropyl)-3-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone | InChI=1S/C37H59N5O10/c1-7-8-9-10-11-12-26-19-30(46)38-27(17-21(2)3)33(47)40-29(20-43)35(49)42-32(23(6)44)36(50)39-28(18-24-13-15-25(45)16-14-24)34(48)41-31(22(4)5)37(51)52-26/h13-16,21-23,26-29,31-32,43-45H,7-12,17-20H2,1-6H3,(H,38,46)(H,39,50)(H,40,47)(H,41,48)(H,42,49) | CCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)CC2=CC=C(C=C2)O)C(C)O)CO)CC(C)C | [] |
169,492,475 | Serrawettin W2-YI8 | C36H57N5O10 | 3-butan-2-yl-9-(1-hydroxyethyl)-12-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-15-(2-methylpropyl)-19-pentyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone | InChI=1S/C36H57N5O10/c1-7-9-10-11-25-18-29(45)37-26(16-20(3)4)32(46)39-28(19-42)34(48)41-31(22(6)43)35(49)38-27(17-23-12-14-24(44)15-13-23)33(47)40-30(21(5)8-2)36(50)51-25/h12-15,20-22,25-28,30-31,42-44H,7-11,16-19H2,1-6H3,(H,37,45)(H,38,49)(H,39,46)(H,40,47)(H,41,48) | CCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)CC)CC2=CC=C(C=C2)O)C(C)O)CO)CC(C)C | ['Serrawettin W2-YI8'] |
169,492,476 | 5-(6-methyloctyl)-3H-uran-2-one | C13H22O2 | 5-[(6S)-6-methyloctyl]-3H-furan-2-one | InChI=1S/C13H22O2/c1-3-11(2)7-5-4-6-8-12-9-10-13(14)15-12/h9,11H,3-8,10H2,1-2H3/t11-/m0/s1 | CC[C@H](C)CCCCCC1=CCC(=O)O1 | ['5-(6-methyloctyl)-3H-uran-2-one'] |
169,492,477 | Serrawettin W2-FV12:1 | C39H63N5O9 | 6-benzyl-9-(1-hydroxyethyl)-12-(hydroxymethyl)-15-(2-methylpropyl)-19-nonyl-3-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone | InChI=1S/C39H63N5O9/c1-7-8-9-10-11-12-16-19-28-22-32(47)40-29(20-24(2)3)35(48)42-31(23-45)37(50)44-34(26(6)46)38(51)41-30(21-27-17-14-13-15-18-27)36(49)43-33(25(4)5)39(52)53-28/h13-15,17-18,24-26,28-31,33-34,45-46H,7-12,16,19-23H2,1-6H3,(H,40,47)(H,41,51)(H,42,48)(H,43,49)(H,44,50) | CCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)CC2=CC=CC=C2)C(C)O)CO)CC(C)C | [] |
169,492,478 | 1'-(N-acetycysteinyl)-1'-deoxystreptophenazine F | C29H35N3O7S | (2R)-2-acetamido-3-[(1S,2S)-2-methoxycarbonyl-1-(6-methoxycarbonylphenazin-1-yl)-6-methylheptyl]sulfanylpropanoic acid | InChI=1S/C29H35N3O7S/c1-16(2)9-6-12-20(29(37)39-5)26(40-15-23(27(34)35)30-17(3)33)18-10-7-13-21-24(18)31-22-14-8-11-19(25(22)32-21)28(36)38-4/h7-8,10-11,13-14,16,20,23,26H,6,9,12,15H2,1-5H3,(H,30,33)(H,34,35)/t20-,23+,26-/m1/s1 | CC(C)CCC[C@H]([C@@H](C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)OC)SC[C@@H](C(=O)O)NC(=O)C)C(=O)OC | ["1'-(N-acetycysteinyl)-1'-deoxystreptophenazine F"] |
169,492,479 | Rimomycin A | C60H50N8O14 | 22-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-38,51-dihydroxy-25-(4-hydroxyphenyl)-23,26,29,44,46-pentaoxo-7,36-dioxa-18,24,27,30,43,45-hexazanonacyclo[29.13.2.23,6.232,35.18,12.113,17.137,41.010,28.016,20]tripentaconta-3(53),4,6(52),8,10,12(51),13(50),14,16,19,32(49),33,35(48),37,39,41(47)-hexadecaene-42-carboxylic ac... | InChI=1S/C60H50N8O14/c61-48(29-3-11-36(69)12-4-29)56(75)63-44-24-35-27-62-42-23-32(9-19-40(35)42)41-22-34-26-47(53(41)72)82-38-15-1-28(2-16-38)21-43-54(73)68-52(60(79)80)33-10-20-45(71)46(25-33)81-39-17-7-31(8-18-39)49(57(76)64-43)66-59(78)51(34)67-58(77)50(65-55(44)74)30-5-13-37(70)14-6-30/h1-20,22-23,25-27,43-44,48-5... | C1C2C(=O)NC(C3=CC(=C(C=C3)O)OC4=CC=C(C=C4)C(C(=O)N2)NC(=O)C5C6=CC(=C(C(=C6)OC7=CC=C1C=C7)O)C8=CC9=C(C=C8)C(=CN9)CC(C(=O)NC(C(=O)N5)C1=CC=C(C=C1)O)NC(=O)C(C1=CC=C(C=C1)O)N)C(=O)O | ['Rimomycin A'] |
169,492,480 | Rimomycin B | C60H49ClN8O14 | 22-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-34-chloro-38,51-dihydroxy-25-(4-hydroxyphenyl)-23,26,29,44,46-pentaoxo-7,36-dioxa-18,24,27,30,43,45-hexazanonacyclo[29.13.2.23,6.232,35.18,12.113,17.137,41.010,28.016,20]tripentaconta-3(53),4,6(52),8,10,12(51),13(50),14,16,19,32,34,37,39,41(47),48-hexadecaene-42-carboxylic ... | InChI=1S/C60H49ClN8O14/c61-40-21-31-9-18-45(40)83-46-24-32(8-17-44(46)72)52(60(80)81)69-54(74)42-19-27-1-14-37(15-2-27)82-47-25-33-20-39(53(47)73)30-7-16-38-34(26-63-41(38)22-30)23-43(64-56(76)48(62)28-3-10-35(70)11-4-28)55(75)66-49(29-5-12-36(71)13-6-29)58(78)68-51(33)59(79)67-50(31)57(77)65-42/h1-18,20-22,24-26,42-43... | C1C2C(=O)NC(C3=CC(=C(C=C3)O)OC4=C(C=C(C=C4)C(C(=O)N2)NC(=O)C5C6=CC(=C(C(=C6)OC7=CC=C1C=C7)O)C8=CC9=C(C=C8)C(=CN9)CC(C(=O)NC(C(=O)N5)C1=CC=C(C=C1)O)NC(=O)C(C1=CC=C(C=C1)O)N)Cl)C(=O)O | ['Rimomycin B'] |
169,492,481 | Rimomycin C | C60H48Cl2N8O14 | 22-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-34-chloro-25-(3-chloro-4-hydroxyphenyl)-38,51-dihydroxy-23,26,29,44,46-pentaoxo-7,36-dioxa-18,24,27,30,43,45-hexazanonacyclo[29.13.2.23,6.232,35.18,12.113,17.137,41.010,28.016,20]tripentaconta-3(53),4,6(52),8,10,12(51),13(50),14,16,19,32,34,37,39,41(47),48-hexadecaene-42-ca... | InChI=1S/C60H48Cl2N8O14/c61-38-19-29(6-14-43(38)72)50-58(79)69-51-32-18-37(28-5-13-36-33(25-64-40(36)21-28)22-42(55(76)67-50)65-56(77)48(63)27-3-9-34(71)10-4-27)53(74)47(24-32)83-35-11-1-26(2-12-35)17-41-54(75)70-52(60(81)82)31-7-15-44(73)46(23-31)84-45-16-8-30(20-39(45)62)49(57(78)66-41)68-59(51)80/h1-16,18-21,23-25,4... | C1C2C(=O)NC(C3=CC(=C(C=C3)O)OC4=C(C=C(C=C4)C(C(=O)N2)NC(=O)C5C6=CC(=C(C(=C6)OC7=CC=C1C=C7)O)C8=CC9=C(C=C8)C(=CN9)CC(C(=O)NC(C(=O)N5)C1=CC(=C(C=C1)O)Cl)NC(=O)C(C1=CC=C(C=C1)O)N)Cl)C(=O)O | ['Rimomycin C'] |
169,492,482 | Misaugamycin A | C63H53Cl3N8O17 | 3-[[2-[[29-[[carboxy-(4-hydroxyphenyl)methyl]carbamoyl]-20,26-bis(3-chloro-4-hydroxyphenyl)-4,18,21,24,27-pentaoxo-2-oxa-8,19,22,25,28-pentazahexacyclo[29.2.2.13,7.18,15.07,23.09,14]heptatriaconta-1(33),5,9,11,13,15(36),31,34-octaen-17-yl]amino]-1-(3-chloro-4-hydroxyphenyl)-2-oxoethyl]amino]-3-oxopropanoic acid | InChI=1S/C63H53Cl3N8O17/c64-38-22-31(9-16-44(38)76)51(69-49(80)26-50(81)82)58(85)68-42-25-34-28-74(43-4-2-1-3-37(34)43)63-20-19-47(79)48(27-63)91-36-14-5-29(6-15-36)21-41(56(83)72-54(62(89)90)30-7-12-35(75)13-8-30)67-59(86)52(32-10-17-45(77)39(65)23-32)71-61(88)55(63)73-60(87)53(70-57(42)84)33-11-18-46(78)40(66)24-33/h... | C1C(C(=O)NC(C(=O)NC2C(=O)NC(C(=O)NC(CC3=CC=C(C=C3)OC4CC2(C=CC4=O)N5C=C1C6=CC=CC=C65)C(=O)NC(C7=CC=C(C=C7)O)C(=O)O)C8=CC(=C(C=C8)O)Cl)C9=CC(=C(C=C9)O)Cl)NC(=O)C(C1=CC(=C(C=C1)O)Cl)NC(=O)CC(=O)O | ['Misaugamycin A'] |
169,492,483 | Misaugamycin B | C62H53Cl3N8O18S | 2-[[20,26-bis(3-chloro-4-hydroxyphenyl)-17-[[2-(3-chloro-4-hydroxyphenyl)-2-[(2-sulfoacetyl)amino]acetyl]amino]-4,18,21,24,27-pentaoxo-2-oxa-8,19,22,25,28-pentazahexacyclo[29.2.2.13,7.18,15.07,23.09,14]heptatriaconta-1(33),5,9,11,13,15(36),31,34-octaene-29-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid | InChI=1S/C62H53Cl3N8O18S/c63-38-22-31(9-16-44(38)75)50(68-49(79)28-92(88,89)90)57(82)67-42-25-34-27-73(43-4-2-1-3-37(34)43)62-20-19-47(78)48(26-62)91-36-14-5-29(6-15-36)21-41(55(80)71-53(61(86)87)30-7-12-35(74)13-8-30)66-58(83)51(32-10-17-45(76)39(64)23-32)70-60(85)54(62)72-59(84)52(69-56(42)81)33-11-18-46(77)40(65)24-... | C1C(C(=O)NC(C(=O)NC2C(=O)NC(C(=O)NC(CC3=CC=C(C=C3)OC4CC2(C=CC4=O)N5C=C1C6=CC=CC=C65)C(=O)NC(C7=CC=C(C=C7)O)C(=O)O)C8=CC(=C(C=C8)O)Cl)C9=CC(=C(C=C9)O)Cl)NC(=O)C(C1=CC(=C(C=C1)O)Cl)NC(=O)CS(=O)(=O)O | ['Misaugamycin B'] |
169,492,484 | Paenithopeptin A | C87H138N20O21S3 | (4S,7S,13R,18R,21R,24S,27S,30S)-24-(4-aminobutyl)-13-[[(2S,3S)-2-[[(Z)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(Z)-2-[[(Z)-2-[[(2S,3S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]but-2-enoyl]amino]but-2-enoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]but-2-enoyl]amino]-3-methylpentanoyl]... | InChI=1S/C87H138N20O21S3/c1-19-45(14)65(101-62(109)37-90-69(110)49(18)89)81(122)92-52(23-5)70(111)91-53(24-6)71(112)104-68(48(17)22-4)84(125)105-67(47(16)21-3)82(123)93-54(25-7)72(113)103-66(46(15)20-2)83(124)99-60-39-130-131-40-61(85(126)127)100-76(117)59-38-129-41-87(36-58(97-77(60)118)75(116)102-63(43(10)11)79(120)9... | CC[C@H](C)[C@@H](C(=O)N/C(=C\C)/C(=O)N/C(=C\C)/C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N/C(=C\C)/C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CSCC3(CC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(C)C)C(C)C)NC1=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCCN)CC4=CC=C(C=C4)O)C(C)C)C(=O)O)NC(=O)CNC... | ['Paenithopeptin A'] |
169,492,485 | Paenithopeptin B | C84H133N19O20S3 | (4S,7S,13R,18R,21R,24S,27S,30S)-13-[[(2S,3S)-2-[[(Z)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(Z)-2-[[(Z)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]but-2-enoyl]amino]but-2-enoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]but-2-enoyl]amino]-3-methylpentanoyl]amino]-24-(4-aminobutyl)-27-[(4-hydroxyphen... | InChI=1S/C84H133N19O20S3/c1-18-44(14)63(97-60(105)36-86)78(117)88-50(22-5)67(106)87-51(23-6)68(107)100-66(47(17)21-4)81(120)101-65(46(16)20-3)79(118)89-52(24-7)69(108)99-64(45(15)19-2)80(119)95-58-38-125-126-39-59(82(121)122)96-73(112)57-37-124-40-84(35-56(93-74(58)113)72(111)98-61(42(10)11)76(115)91-54(33-41(8)9)75(11... | CC[C@H](C)[C@@H](C(=O)N/C(=C\C)/C(=O)N/C(=C\C)/C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N/C(=C\C)/C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CSCC3(CC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(C)C)C(C)C)NC1=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCCN)CC4=CC=C(C=C4)O)C(C)C)C(=O)O)NC(=O)CN | ['Paenithopeptin B'] |
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