3-[[2-[2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-7-naphthalen-1-yl-4-oxidanylidene-heptanoic acid

Systemtic Name: 3-[[2-[2-[(2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-7-naphthalen-1-yl-4-oxidanylidene-heptanoic acid Openeye Name: 3-[[2-[2-[(2-acetamido-4-hydroxy-4-oxo-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-7-(1-naphthyl)-4-oxo-heptanoic acid CAS Name: 3-[[2-[[2-[(2-acetamido-4-hydroxy-1,4-dioxobutyl)amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-7-(1-naphthalenyl)-4-oxoheptanoic acid IUPAC Name: 3-[[2-[2-[(2-acetamido-4-hydroxy-4-oxobutanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-7-naphthalen-1-yl-4-oxoheptanoic acid Traditional Name: 3-[[2-[2-[(2-acetamido-4-hydroxy-4-keto-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-keto-7-(1-naphthyl)enanthic acid Formula: C31H40N4O9 MolecularWeight: 612.6707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCC1=CC=CC2=CC=CC=C21)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)CCCC1=CC=CC2=CC=CC=C21)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C

InChI

InChI=1S/C31H40N4O9/c1-17(2)28(35-29(42)18(3)32-30(43)24(16-27(40)41)33-19(4)36)31(44)34-23(15-26(38)39)25(37)14-8-12-21-11-7-10-20-9-5-6-13-22(20)21/h5-7,9-11,13,17-18,23-24,28H,8,12,14-16H2,1-4H3,(H,32,43)(H,33,36)(H,34,44)(H,35,42)(H,38,39)(H,40,41)