3-formamido-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-(phenylmethyl)butanoic acid

Systemtic Name: 3-formamido-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-(phenylmethyl)butanoic acid Openeye Name: 3-benzyl-4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-3-formamido-4-oxo-butanoic acid CAS Name: 3-formamido-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxo-3-(phenylmethyl)butanoic acid IUPAC Name: 3-benzyl-3-formamido-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-benzyl-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-3-formamido-4-keto-butyric acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=CC=C2)(CC(=O)O)NC=O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CC=CC=C2)(CC(=O)O)NC=O

InChI

InChI=1S/C21H22N2O6/c24-14-22-21(13-18(25)26,12-16-9-5-2-6-10-16)20(29)23-17(19(27)28)11-15-7-3-1-4-8-15/h1-10,14,17H,11-13H2,(H,22,24)(H,23,29)(H,25,26)(H,27,28)