[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O5/c1-20(24(31)30-27(19-28)15-9-4-10-16-27)35-25(32)23(17-21-11-5-2-6-12-21)29-26(33)34-18-22-13-7-3-8-14-22/h2-3,5-8,11-14,20,23H,4,9-10,15-18H2,1H3,(H,29,33)(H,30,31)