3-[[2-[[2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-7-phenyl-heptanoic 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-7-phenyl-heptanoic 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-7-phenyl-heptanoic 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-7-phenylheptanoic acid IUPAC Name: 3-[[2-[[2-[(2-acetamido-4-hydroxy-4-oxobutanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-oxo-7-phenylheptanoic 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-7-phenyl-enanthic acid Formula: C29H40N4O11 MolecularWeight: 620.6481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCC1=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)CCCC1=CC=CC=C1)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

InChI

InChI=1S/C29H40N4O11/c1-16(2)26(29(44)32-20(14-24(38)39)22(35)11-7-10-18-8-5-4-6-9-18)33-27(42)19(12-13-23(36)37)31-28(43)21(15-25(40)41)30-17(3)34/h4-6,8-9,16,19-21,26H,7,10-15H2,1-3H3,(H,30,34)(H,31,43)(H,32,44)(H,33,42)(H,36,37)(H,38,39)(H,40,41)