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

Systemtic Name: (phenylmethyl) N-[(4S)-7-oxidanylidene-1-[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]azepan-4-yl]carbamate Openeye Name: benzyl N-[(4S)-1-[(1S)-1-benzyl-2-phenylsulfanyl-ethyl]-7-oxo-azepan-4-yl]carbamate CAS Name: N-[(4S)-7-oxo-1-[(2S)-1-phenyl-3-(phenylthio)propan-2-yl]-4-azepanyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4S)-7-oxo-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]azepan-4-yl]carbamate Traditional Name: N-[(4S)-1-[(1S)-1-benzyl-2-(phenylthio)ethyl]-7-keto-azepan-4-yl]carbamic acid benzyl ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1NC(=O)OCC2=CC=CC=C2)C(CC3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(CC[C@H]1NC(=O)OCC2=CC=CC=C2)[C@@H](CC3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O3S/c32-28-17-16-25(30-29(33)34-21-24-12-6-2-7-13-24)18-19-31(28)26(20-23-10-4-1-5-11-23)22-35-27-14-8-3-9-15-27/h1-15,25-26H,16-22H2,(H,30,33)/t25-,26-/m0/s1