4-methylsulfanyl-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(phenylmethyl)amino]butanoic acid Openeye Name: 2-(benzylamino)-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: 2-(benzylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(benzylamino)-4-(methylthio)butyric acid Formula: C12H17NO2S MolecularWeight: 239.33388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCC1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)O)NCC1=CC=CC=C1

InChI

InChI=1S/C12H17NO2S/c1-16-8-7-11(12(14)15)13-9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3,(H,14,15)