3-[[2-[[2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-9-phenyl-nonanoic acid

Systemtic Name: 3-[[2-[[2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-9-phenyl-nonanoic acid Openeye Name: 3-[[2-[[2-[(2-acetamido-4-hydroxy-4-oxo-butanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-9-phenyl-nonanoic acid CAS Name: 3-[[2-[[2-[(2-acetamido-4-hydroxy-1,4-dioxobutyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxo-9-phenylnonanoic acid IUPAC Name: 3-[[2-[[2-[(2-acetamido-4-hydroxy-4-oxobutanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-oxo-9-phenylnonanoic acid Traditional Name: 3-[[2-[[2-[(2-acetamido-4-hydroxy-4-keto-butanoyl)amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-9-phenyl-pelargonic acid Formula: C31H44N4O11 MolecularWeight: 648.70126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCCCC1=CC=CC=C1)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCCCC1=CC=CC=C1)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

InChI

InChI=1S/C31H44N4O11/c1-18(2)28(35-29(44)21(14-15-25(38)39)33-30(45)23(17-27(42)43)32-19(3)36)31(46)34-22(16-26(40)41)24(37)13-9-5-8-12-20-10-6-4-7-11-20/h4,6-7,10-11,18,21-23,28H,5,8-9,12-17H2,1-3H3,(H,32,36)(H,33,45)(H,34,46)(H,35,44)(H,38,39)(H,40,41)(H,42,43)