(2R)-2-[(4-methylphenyl)carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[(4-methylphenyl)carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[(4-methylbenzoyl)amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-3-mercapto-2-[[(4-methylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-2-[(4-methylbenzoyl)amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-3-mercapto-2-(p-toluoylamino)propionic acid Formula: C11H13NO3S MolecularWeight: 239.29082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C11H13NO3S/c1-7-2-4-8(5-3-7)10(13)12-9(6-16)11(14)15/h2-5,9,16H,6H2,1H3,(H,12,13)(H,14,15)/t9-/m0/s1