[(1S,2S)-1-cyano-3-phenyl-2-[phenylmethoxycarbonyl-(phenylmethyl)amino]propyl] ethanoate

Systemtic Name: [(1S,2S)-1-cyano-3-phenyl-2-[phenylmethoxycarbonyl-(phenylmethyl)amino]propyl] ethanoate Openeye Name: [(1S,2S)-2-[benzyl(benzyloxycarbonyl)amino]-1-cyano-3-phenyl-propyl] acetate CAS Name: acetic acid [(1S,2S)-1-cyano-3-phenyl-2-[phenylmethoxycarbonyl-(phenylmethyl)amino]propyl] ester IUPAC Name: [(1S,2S)-2-[benzyl(phenylmethoxycarbonyl)amino]-1-cyano-3-phenylpropyl] acetate Traditional Name: acetic acid [(1S,2S)-2-[benzyl(carbobenzoxy)amino]-1-cyano-3-phenyl-propyl] ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#N)C(CC1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@H](C#N)[C@H](CC1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H26N2O4/c1-21(30)33-26(18-28)25(17-22-11-5-2-6-12-22)29(19-23-13-7-3-8-14-23)27(31)32-20-24-15-9-4-10-16-24/h2-16,25-26H,17,19-20H2,1H3/t25-,26+/m0/s1