(phenylmethyl) N-[(2S)-3-azanyl-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-azanyl-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(aminomethyl)-2-(benzylamino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-amino-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(aminomethyl)-2-(benzylamino)-2-keto-ethyl]carbamic acid benzyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c19-11-16(17(22)20-12-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,22)(H,21,23)/t16-/m0/s1