3-[[2-[2-[(2-benzamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-7-phenyl-heptanoic acid

Systemtic Name: 3-[[2-[2-[(2-benzamido-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-7-phenyl-heptanoic acid Openeye Name: 3-[[2-[2-[(2-benzamido-4-hydroxy-4-oxo-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxo-7-phenyl-heptanoic acid CAS Name: 3-[[2-[[2-[(2-benzamido-4-hydroxy-1,4-dioxobutyl)amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxo-7-phenylheptanoic acid IUPAC Name: 3-[[2-[2-[(2-benzamido-4-hydroxy-4-oxobutanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-4-oxo-7-phenylheptanoic acid Traditional Name: 3-[[2-[2-[(2-benzamido-4-hydroxy-4-keto-butanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-keto-7-phenyl-enanthic acid Formula: C32H40N4O9 MolecularWeight: 624.6814

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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(C)NC(=O)C(CC(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C32H40N4O9/c1-19(2)28(32(45)34-23(17-26(38)39)25(37)16-10-13-21-11-6-4-7-12-21)36-29(42)20(3)33-31(44)24(18-27(40)41)35-30(43)22-14-8-5-9-15-22/h4-9,11-12,14-15,19-20,23-24,28H,10,13,16-18H2,1-3H3,(H,33,44)(H,34,45)(H,35,43)(H,36,42)(H,38,39)(H,40,41)