3-methyl-2-[(3-methylphenyl)carbamoylamino]-3-sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-[(3-methylphenyl)carbamoylamino]-3-sulfanyl-butanoic acid Openeye Name: 3-methyl-2-(m-tolylcarbamoylamino)-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-3-methyl-2-[[(3-methylanilino)-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(3-methylphenyl)carbamoylamino]-3-sulfanylbutanoic acid Traditional Name: 3-mercapto-3-methyl-2-(m-tolylcarbamoylamino)butyric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC(C(=O)O)C(C)(C)S

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC(C(=O)O)C(C)(C)S

InChI

InChI=1S/C13H18N2O3S/c1-8-5-4-6-9(7-8)14-12(18)15-10(11(16)17)13(2,3)19/h4-7,10,19H,1-3H3,(H,16,17)(H2,14,15,18)