(2S)-2-[(4-cyanophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(4-cyanophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(4-cyanobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-cyanophenyl)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(4-cyanobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-cyanobenzoyl)amino]-3-methyl-butyrate Formula: C13H13N2O3- MolecularWeight: 245.25392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H14N2O3/c1-8(2)11(13(17)18)15-12(16)10-5-3-9(7-14)4-6-10/h3-6,8,11H,1-2H3,(H,15,16)(H,17,18)/p-1/t11-/m0/s1