(phenylmethyl) N-[2-oxidanylidene-2-[[(3S)-2-oxidanylideneazepan-3-yl]amino]ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-oxidanylidene-2-[[(3S)-2-oxidanylideneazepan-3-yl]amino]ethyl]carbamate Openeye Name: benzyl N-[2-oxo-2-[[(3S)-2-oxoazepan-3-yl]amino]ethyl]carbamate CAS Name: N-[2-oxo-2-[[(3S)-2-oxo-3-azepanyl]amino]ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-oxo-2-[[(3S)-2-oxoazepan-3-yl]amino]ethyl]carbamate Traditional Name: N-[2-keto-2-[[(3S)-2-ketoazepan-3-yl]amino]ethyl]carbamic acid benzyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O4/c20-14(19-13-8-4-5-9-17-15(13)21)10-18-16(22)23-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,21)(H,18,22)(H,19,20)/t13-/m0/s1