[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CC(C2=CC=CC=C2)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C[C@H](C2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C21H21N3O4/c1-14(21(27)24-18-10-6-7-16(11-18)13-22)28-20(26)12-19(23-15(2)25)17-8-4-3-5-9-17/h3-11,14,19H,12H2,1-2H3,(H,23,25)(H,24,27)/t14-,19-/m1/s1