3-[[2-[[2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-8-phenyl-octanoic 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-8-phenyl-octanoic 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-8-phenyl-octanoic 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-8-phenyloctanoic acid IUPAC Name: 3-[[2-[[2-[(2-acetamido-4-hydroxy-4-oxobutanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-oxo-8-phenyloctanoic 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-8-phenyl-caprylic acid Formula: C30H42N4O11 MolecularWeight: 634.67468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCCC1=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)CCCCC1=CC=CC=C1)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

InChI

InChI=1S/C30H42N4O11/c1-17(2)27(30(45)33-21(15-25(39)40)23(36)12-8-7-11-19-9-5-4-6-10-19)34-28(43)20(13-14-24(37)38)32-29(44)22(16-26(41)42)31-18(3)35/h4-6,9-10,17,20-22,27H,7-8,11-16H2,1-3H3,(H,31,35)(H,32,44)(H,33,45)(H,34,43)(H,37,38)(H,39,40)(H,41,42)