(phenylmethyl) 4-oxidanylidene-4-(1-phenylethylamino)-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (phenylmethyl) 4-oxidanylidene-4-(1-phenylethylamino)-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: benzyl 3-(benzyloxycarbonylamino)-4-oxo-4-(1-phenylethylamino)butanoate CAS Name: 4-oxo-4-(1-phenylethylamino)-3-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-oxo-4-(1-phenylethylamino)-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: 3-(benzyloxycarbonylamino)-4-keto-4-(1-phenylethylamino)butyric acid benzyl ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O5/c1-20(23-15-9-4-10-16-23)28-26(31)24(17-25(30)33-18-21-11-5-2-6-12-21)29-27(32)34-19-22-13-7-3-8-14-22/h2-16,20,24H,17-19H2,1H3,(H,28,31)(H,29,32)