(2S)-N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C13H23N4O2+ MolecularWeight: 267.34732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)[NH+]1CCNC(=O)C1

Isomeric SMILES

C[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)[NH+]1CCNC(=O)C1

InChI

InChI=1S/C13H22N4O2/c1-9(2)13(4,8-14)16-12(19)10(3)17-6-5-15-11(18)7-17/h9-10H,5-7H2,1-4H3,(H,15,18)(H,16,19)/p+1/t10-,13-/m0/s1