(2S)-2-acetamido-4-methyl-pentane-1-sulfonic acid

Systemtic Name: (2S)-2-acetamido-4-methyl-pentane-1-sulfonic acid Openeye Name: (2S)-2-acetamido-4-methyl-pentane-1-sulfonic acid CAS Name: (2S)-2-acetamido-4-methyl-1-pentanesulfonic acid IUPAC Name: (2S)-2-acetamido-4-methylpentane-1-sulfonic acid Traditional Name: (2S)-2-acetamido-4-methyl-pentane-1-sulfonic acid Formula: C8H17NO4S MolecularWeight: 223.28988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CS(=O)(=O)O)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](CS(=O)(=O)O)NC(=O)C

InChI

InChI=1S/C8H17NO4S/c1-6(2)4-8(9-7(3)10)5-14(11,12)13/h6,8H,4-5H2,1-3H3,(H,9,10)(H,11,12,13)/t8-/m0/s1