(4S,6S)-6-methanoyl-4-[[(2R)-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-4-oxidanyl-4-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-non-8-ynoic acid

Systemtic Name: (4S,6S)-6-methanoyl-4-[[(2R)-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-4-oxidanyl-4-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-non-8-ynoic acid Openeye Name: (4S,6S)-6-formyl-4-[[(2R)-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S)-4-hydroxy-2-[(4-hydroxy-4-oxo-butanoyl)amino]-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-non-8-ynoic acid CAS Name: (4S,6S)-6-formyl-4-[[(2R)-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S)-4-hydroxy-2-[(4-hydroxy-1,4-dioxobutyl)amino]-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-5-oxo-8-nonynoic acid IUPAC Name: (4S,6S)-6-formyl-4-[[(2R)-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S)-4-hydroxy-2-[(4-hydroxy-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-5-oxonon-8-ynoic acid Traditional Name: (4S,6S)-6-formyl-4-[[(2R)-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S)-4-hydroxy-2-[(4-hydroxy-4-keto-butanoyl)amino]-4-keto-butanoyl]amino]-5-keto-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-3-phenyl-propanoyl]amino]-5-keto-non-8-ynoic acid Formula: C37H47N5O15S MolecularWeight: 833.85858

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)C(CC#C)C=O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

CSCC[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)[C@@H](CC#C)C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C37H47N5O15S/c1-3-7-22(20-43)33(53)23(10-13-29(45)46)39-36(56)26(18-21-8-5-4-6-9-21)42-35(55)25(16-17-58-2)41-34(54)24(11-14-30(47)48)40-37(57)27(19-32(51)52)38-28(44)12-15-31(49)50/h1,4-6,8-9,20,22-27H,7,10-19H2,2H3,(H,38,44)(H,39,56)(H,40,57)(H,41,54)(H,42,55)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/t22-,23-,24-,25-,26+,27-/m0/s1