(4S,6S)-6-methanoyl-4-[[(2S)-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]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-non-8-enoic acid

Systemtic Name: (4S,6S)-6-methanoyl-4-[[(2S)-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]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-non-8-enoic acid Openeye Name: (4S,6S)-6-formyl-4-[[(2S)-5-hydroxy-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]-5-oxo-pentanoyl]amino]-5-oxo-non-8-enoic acid CAS Name: (4S,6S)-6-formyl-4-[[(2S)-5-hydroxy-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]-1,5-dioxopentyl]amino]-5-oxo-8-nonenoic acid IUPAC Name: (4S,6S)-6-formyl-4-[[(2S)-5-hydroxy-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]-5-oxopentanoyl]amino]-5-oxonon-8-enoic acid Traditional Name: (4S,6S)-6-formyl-4-[[(2S)-5-hydroxy-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]-5-keto-pentanoyl]amino]-5-keto-non-8-enoic acid Formula: C33H47N5O17S MolecularWeight: 817.81458

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCC(=O)O)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](CCC(=O)O)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/C33H47N5O17S/c1-3-4-17(16-39)29(51)18(5-9-24(41)42)35-30(52)19(6-10-25(43)44)36-32(54)21(13-14-56-2)38-31(53)20(7-11-26(45)46)37-33(55)22(15-28(49)50)34-23(40)8-12-27(47)48/h3,16-22H,1,4-15H2,2H3,(H,34,40)(H,35,52)(H,36,54)(H,37,55)(H,38,53)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)/t17-,18-,19-,20-,21-,22-/m0/s1