(2S)-3-methyl-2-[(phenylmethyl)sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(phenylmethyl)sulfonylamino]butanoic acid Openeye Name: (2S)-2-(benzylsulfonylamino)-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[(phenylmethyl)sulfonylamino]butanoic acid IUPAC Name: (2S)-2-(benzylsulfonylamino)-3-methylbutanoic acid Traditional Name: (2S)-2-(benzylsulfonylamino)-3-methyl-butyric acid Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/c1-9(2)11(12(14)15)13-18(16,17)8-10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,14,15)/t11-/m0/s1