(phenylmethyl) (2S)-2-[(2-oxidanylideneazepan-3-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-oxidanylideneazepan-3-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[(2-oxoazepan-3-yl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[oxo-[(2-oxo-3-azepanyl)amino]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-oxoazepan-3-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(2-ketoazepan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O4/c23-17-15(9-4-5-11-20-17)21-18(24)16-10-6-12-22(16)19(25)26-13-14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13H2,(H,20,23)(H,21,24)/t15?,16-/m0/s1