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

Systemtic Name: (phenylmethyl) N-[(4S)-1-[(2S)-1-azido-3-phenyl-propan-2-yl]-7-oxidanylidene-azepan-4-yl]carbamate Openeye Name: benzyl N-[(4S)-1-[(1S)-1-(azidomethyl)-2-phenyl-ethyl]-7-oxo-azepan-4-yl]carbamate CAS Name: N-[(4S)-1-[(2S)-1-azido-3-phenylpropan-2-yl]-7-oxo-4-azepanyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4S)-1-[(2S)-1-azido-3-phenylpropan-2-yl]-7-oxoazepan-4-yl]carbamate Traditional Name: N-[(4S)-1-[(1S)-1-(azidomethyl)-2-phenyl-ethyl]-7-keto-azepan-4-yl]carbamic acid benzyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1NC(=O)OCC2=CC=CC=C2)C(CC3=CC=CC=C3)CN=[N+]=[N-]

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3/c24-27-25-16-21(15-18-7-3-1-4-8-18)28-14-13-20(11-12-22(28)29)26-23(30)31-17-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,26,30)/t20-,21-/m0/s1