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

Systemtic Name: 3-[[2-[2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-9-phenyl-nonanoic acid Openeye Name: 3-[[2-[2-[(2-acetamido-4-hydroxy-4-oxo-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxo-9-phenyl-nonanoic acid CAS Name: 3-[[2-[[2-[(2-acetamido-4-hydroxy-1,4-dioxobutyl)amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxo-9-phenylnonanoic acid IUPAC Name: 3-[[2-[2-[(2-acetamido-4-hydroxy-4-oxobutanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-4-oxo-9-phenylnonanoic acid Traditional Name: 3-[[2-[2-[(2-acetamido-4-hydroxy-4-keto-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-keto-9-phenyl-pelargonic acid Formula: C29H42N4O9 MolecularWeight: 590.66518

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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(C)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(C)NC(=O)C(CC(=O)O)NC(=O)C

InChI

InChI=1S/C29H42N4O9/c1-17(2)26(33-27(40)18(3)30-28(41)22(16-25(38)39)31-19(4)34)29(42)32-21(15-24(36)37)23(35)14-10-6-9-13-20-11-7-5-8-12-20/h5,7-8,11-12,17-18,21-22,26H,6,9-10,13-16H2,1-4H3,(H,30,41)(H,31,34)(H,32,42)(H,33,40)(H,36,37)(H,38,39)