Primary Record
Thiomuracin I
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 42637268
- SMILES
- C[C@H]1C[C@@H](N2[C@@H]1C3=NC(=CS3)C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)C7=NC(=CS7)C(=O)N[C@H](C8=NC(=C(S8)C)C(=O)N[C@H](C9=NC(=CS9)C(=O)N[C@H](C2=O)CC1=CC=C(C=C1)O)[C@@H](C1=CC=CC=C1)O)CC(=O)N)O
- Canonical SMILES
- C=C(NC(=O)C(=C)NC(=O)c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)[C@@H]2[C@@H](C)C[C@H](O)N2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2csc(n2)[C@H]([C@H](O)c2ccccc2)NC(=O)c2nc(sc2C)[C@H](CC(N)=O)NC(=O)c2csc-3n2)n1)C(=O)O
Names & Synonyms
- Thiomuracin I
- RefChem:189577
- SCHEMBL29884555
- CHEBI:207447
- J2.716.693H
- (10S,13S,20S,27S)-13-(4-Hydroxybenzyl)-20-[(alphaR)-alpha-hydroxybenzyl]-10,11-[(1S,3S)-3-hydroxy-1-methyl-1,3-propanediyl]-27-(carbamoylmethyl)-37-[4-[[1-[(1-carboxyethenyl)carbamoyl]ethenyl]carbamoyl]-2-thiazolyl]-24-methyl-2,5:6,9:16,19:23,26:30,33-pentaepinitrilo-4,8,18,25,32-pentathia-11,14,21,28,38-pentaazabicyclo[32.4.0]octatriacontane-1(34),2,6,16,23,30,35,37-octaene-12,15,22,29-tetraone
- 2-((1-Hydroxy-2-((hydroxy((2-((6S,7S,9S,12S,19S,26S)-9,14,21,28-tetrahydroxy-19-((R)-hydroxy(phenyl)methyl)-26-((C-hydroxycarbonimidoyl)methyl)-12-((4-hydroxyphenyl)methyl)-7,23-dimethyl-11-oxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo(37.2.1.1,.1,.1,.1,.0,.0,)hexatetraconta-1(42),2,5(46),13,15,18(45),20,22,25(44),27,29,32(43),33(38),34,36,39-hexadecaen-36-yl)-1,3-thiazol-4-yl))methylidene)amino)prop-2-en-1-ylidene)amino)prop-2-enoate
- 2-[(1-Hydroxy-2-{[hydroxy({2-[(6S,7S,9S,12S,19S,26S)-9,14,21,28-tetrahydroxy-19-[(R)-hydroxy(phenyl)methyl]-26-[(C-hydroxycarbonimidoyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11-oxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.1,.1,.1,.1,.0,.0,]hexatetraconta-1(42),2,5(46),13,15,18(45),20,22,25(44),27,29,32(43),33(38),34,36,39-hexadecaen-36-yl]-1,3-thiazol-4-yl})methylidene]amino}prop-2-en-1-ylidene)amino]prop-2-enoate
- 2-[2-({2-[(6S,7S,9S,12S,19S,26S)-26-(carbamoylmethyl)-9-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33,35,37,39-tridecaen-36-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamido]prop-2-enoic acid
- 2-[2-[[2-[(6S,7S,9S,12S,19S,26S)-26-(2-amino-2-oxoethyl)-9-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoic acid