(2S)-2-[bis(cyanomethyl)azaniumyl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[bis(cyanomethyl)azaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[bis(cyanomethyl)ammonio]-3-methyl-butanoate CAS Name: (2S)-2-[bis(cyanomethyl)ammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[bis(cyanomethyl)azaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[bis(cyanomethyl)ammonio]-3-methyl-butyrate Formula: C9H13N3O2 MolecularWeight: 195.21842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+](CC#N)CC#N

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+](CC#N)CC#N

InChI

InChI=1S/C9H13N3O2/c1-7(2)8(9(13)14)12(5-3-10)6-4-11/h7-8H,5-6H2,1-2H3,(H,13,14)/t8-/m0/s1