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

Systemtic Name: 3-methyl-2-[(3-methylphenyl)carbonylamino]-3-sulfanyl-butanoic acid Openeye Name: 3-methyl-2-[(3-methylbenzoyl)amino]-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(3-methylbenzoyl)amino]-3-sulfanylbutanoic acid Traditional Name: 3-mercapto-3-methyl-2-(m-toluoylamino)butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-8-5-4-6-9(7-8)11(15)14-10(12(16)17)13(2,3)18/h4-7,10,18H,1-3H3,(H,14,15)(H,16,17)