[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NCCC#N)C1=CC=CC=C1

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NCCC#N)C1=CC=CC=C1

InChI

InChI=1S/C16H19N3O4/c1-12(20)19-14(13-6-3-2-4-7-13)10-16(22)23-11-15(21)18-9-5-8-17/h2-4,6-7,14H,5,9-11H2,1H3,(H,18,21)(H,19,20)/t14-/m1/s1