(2S)-2-(2-methylpropanoylamino)-3-sulfanyl-propanoate

Systemtic Name: (2S)-2-(2-methylpropanoylamino)-3-sulfanyl-propanoate Openeye Name: (2S)-2-(2-methylpropanoylamino)-3-sulfanyl-propanoate CAS Name: (2S)-3-mercapto-2-[(2-methyl-1-oxopropyl)amino]propanoate IUPAC Name: (2S)-2-(2-methylpropanoylamino)-3-sulfanylpropanoate Traditional Name: (2S)-2-(isobutyrylamino)-3-mercapto-propionate Formula: C7H12NO3S- MolecularWeight: 190.24008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CS)C(=O)[O-]

Isomeric SMILES

CC(C)C(=O)N[C@H](CS)C(=O)[O-]

InChI

InChI=1S/C7H13NO3S/c1-4(2)6(9)8-5(3-12)7(10)11/h4-5,12H,3H2,1-2H3,(H,8,9)(H,10,11)/p-1/t5-/m1/s1