(phenylmethyl) 4-oxidanylidene-4-(3-oxidanylidenepropylamino)-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (phenylmethyl) 4-oxidanylidene-4-(3-oxidanylidenepropylamino)-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: benzyl 3-(benzyloxycarbonylamino)-4-oxo-4-(3-oxopropylamino)butanoate CAS Name: 4-oxo-4-(3-oxopropylamino)-3-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-oxo-4-(3-oxopropylamino)-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: 3-(benzyloxycarbonylamino)-4-keto-4-(3-ketopropylamino)butyric acid benzyl ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)NCCC=O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C(=O)NCCC=O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O6/c25-13-7-12-23-21(27)19(14-20(26)29-15-17-8-3-1-4-9-17)24-22(28)30-16-18-10-5-2-6-11-18/h1-6,8-11,13,19H,7,12,14-16H2,(H,23,27)(H,24,28)