2-[(2-hydroxyphenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[(2-hydroxyphenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(2-hydroxybenzoyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[(2-hydroxyphenyl)-oxomethyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(2-hydroxybenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 3-mercapto-3-methyl-2-(salicyloylamino)butyric acid Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C1=CC=CC=C1O)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C1=CC=CC=C1O)S

InChI

InChI=1S/C12H15NO4S/c1-12(2,18)9(11(16)17)13-10(15)7-5-3-4-6-8(7)14/h3-6,9,14,18H,1-2H3,(H,13,15)(H,16,17)