[(1R,2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl] 4-phenylbenzoate

Systemtic Name: [(1R,2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl] 4-phenylbenzoate Openeye Name: [(1R,2S)-2-(tert-butoxycarbonylamino)-1-cyano-3-phenyl-propyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [(1R,2S)-1-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl] ester IUPAC Name: [(1R,2S)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [(1R,2S)-2-(tert-butoxycarbonylamino)-1-cyano-3-phenyl-propyl] ester Formula: C28H28N2O4 MolecularWeight: 456.53292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O4/c1-28(2,3)34-27(32)30-24(18-20-10-6-4-7-11-20)25(19-29)33-26(31)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-17,24-25H,18H2,1-3H3,(H,30,32)/t24-,25-/m0/s1