(2S)-2-azanyl-N-[(1S)-1-cyano-2-phenyl-ethyl]-N-methyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-[(1S)-1-cyano-2-phenyl-ethyl]-N-methyl-butanamide Openeye Name: (2S)-2-amino-N-[(1S)-1-cyano-2-phenyl-ethyl]-N-methyl-butanamide CAS Name: (2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-N-methylbutanamide IUPAC Name: (2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-N-methylbutanamide Traditional Name: (2S)-2-amino-N-[(1S)-1-cyano-2-phenyl-ethyl]-N-methyl-butyramide Formula: C14H19N3O MolecularWeight: 245.32016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C)C(CC1=CC=CC=C1)C#N)N

Isomeric SMILES

CC[C@@H](C(=O)N(C)[C@@H](CC1=CC=CC=C1)C#N)N

InChI

InChI=1S/C14H19N3O/c1-3-13(16)14(18)17(2)12(10-15)9-11-7-5-4-6-8-11/h4-8,12-13H,3,9,16H2,1-2H3/t12-,13-/m0/s1