(phenylmethyl) 4-[(1-azanyl-1-oxidanylidene-2-phenyl-propan-2-yl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (phenylmethyl) 4-[(1-azanyl-1-oxidanylidene-2-phenyl-propan-2-yl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: benzyl 4-[(2-amino-1-methyl-2-oxo-1-phenyl-ethyl)amino]-3-(benzyloxycarbonylamino)-4-oxo-butanoate CAS Name: 4-[(1-amino-1-oxo-2-phenylpropan-2-yl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(1-amino-1-oxo-2-phenylpropan-2-yl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-[(2-amino-2-keto-1-methyl-1-phenyl-ethyl)amino]-3-(benzyloxycarbonylamino)-4-keto-butyric acid benzyl ester Formula: C28H29N3O6 MolecularWeight: 503.54636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O6/c1-28(26(29)34,22-15-9-4-10-16-22)31-25(33)23(17-24(32)36-18-20-11-5-2-6-12-20)30-27(35)37-19-21-13-7-3-8-14-21/h2-16,23H,17-19H2,1H3,(H2,29,34)(H,30,35)(H,31,33)