(2S)-4-cyano-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid

Systemtic Name: (2S)-4-cyano-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid Openeye Name: (2S)-2-[benzyloxycarbonyl(methyl)amino]-4-cyano-butanoic acid CAS Name: (2S)-4-cyano-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid IUPAC Name: (2S)-4-cyano-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid Traditional Name: (2S)-2-[carbobenzoxy(methyl)amino]-4-cyano-butyric acid Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCC#N)C(=O)O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CN([C@@H](CCC#N)C(=O)O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H16N2O4/c1-16(12(13(17)18)8-5-9-15)14(19)20-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8,10H2,1H3,(H,17,18)/t12-/m0/s1