methyl 3-oxidanylidene-2-[(S)-phenyl-[(phenylmethyl)carbamoylamino]methyl]butanoate

Systemtic Name: methyl 3-oxidanylidene-2-[(S)-phenyl-[(phenylmethyl)carbamoylamino]methyl]butanoate Openeye Name: methyl 2-[(S)-(benzylcarbamoylamino)-phenyl-methyl]-3-oxo-butanoate CAS Name: 3-oxo-2-[(S)-[[oxo-[(phenylmethyl)amino]methyl]amino]-phenylmethyl]butanoic acid methyl ester IUPAC Name: methyl 2-[(S)-(benzylcarbamoylamino)-phenylmethyl]-3-oxobutanoate Traditional Name: 2-[(S)-(benzylcarbamoylamino)-phenyl-methyl]-3-keto-butyric acid methyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=CC=C1)NC(=O)NCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)C([C@@H](C1=CC=CC=C1)NC(=O)NCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O4/c1-14(23)17(19(24)26-2)18(16-11-7-4-8-12-16)22-20(25)21-13-15-9-5-3-6-10-15/h3-12,17-18H,13H2,1-2H3,(H2,21,22,25)/t17?,18-/m1/s1