(4S,6S)-6-methanoyl-4-[[(2R)-4-methyl-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]pentanoyl]amino]-5-oxidanylidene-non-8-ynoic acid

Systemtic Name: (4S,6S)-6-methanoyl-4-[[(2R)-4-methyl-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]pentanoyl]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]-4-methyl-pentanoyl]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]-4-methyl-1-oxopentyl]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]-4-methylpentanoyl]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]-4-methyl-pentanoyl]amino]-5-keto-non-8-ynoic acid Formula: C34H49N5O15S MolecularWeight: 799.84236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)C(CC#C)C=O)NC(=O)C(CCSC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)[C@@H](CC#C)C=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C34H49N5O15S/c1-5-6-19(17-40)30(50)20(7-10-26(42)43)36-33(53)23(15-18(2)3)39-32(52)22(13-14-55-4)38-31(51)21(8-11-27(44)45)37-34(54)24(16-29(48)49)35-25(41)9-12-28(46)47/h1,17-24H,6-16H2,2-4H3,(H,35,41)(H,36,53)(H,37,54)(H,38,51)(H,39,52)(H,42,43)(H,44,45)(H,46,47)(H,48,49)/t19-,20-,21-,22-,23+,24-/m0/s1