2-[(4-methoxyphenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(4-methoxybenzoyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(4-methoxybenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 3-mercapto-3-methyl-2-(p-anisoylamino)butyric acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-13(2,19)10(12(16)17)14-11(15)8-4-6-9(18-3)7-5-8/h4-7,10,19H,1-3H3,(H,14,15)(H,16,17)