(phenylmethyl) N-[(4S)-1-[(2S)-1-cyano-3-phenyl-propan-2-yl]-7-oxidanylidene-azepan-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(4S)-1-[(2S)-1-cyano-3-phenyl-propan-2-yl]-7-oxidanylidene-azepan-4-yl]carbamate Openeye Name: benzyl N-[(4S)-1-[(1S)-1-benzyl-2-cyano-ethyl]-7-oxo-azepan-4-yl]carbamate CAS Name: N-[(4S)-1-[(2S)-1-cyano-3-phenylpropan-2-yl]-7-oxo-4-azepanyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4S)-1-[(2S)-1-cyano-3-phenylpropan-2-yl]-7-oxoazepan-4-yl]carbamate Traditional Name: N-[(4S)-1-[(1S)-1-benzyl-2-cyano-ethyl]-7-keto-azepan-4-yl]carbamic acid benzyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1NC(=O)OCC2=CC=CC=C2)C(CC#N)CC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(CC[C@H]1NC(=O)OCC2=CC=CC=C2)[C@H](CC#N)CC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3/c25-15-13-22(17-19-7-3-1-4-8-19)27-16-14-21(11-12-23(27)28)26-24(29)30-18-20-9-5-2-6-10-20/h1-10,21-22H,11-14,16-18H2,(H,26,29)/t21-,22+/m0/s1