2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(m-toluoylamino)butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-9-4-3-5-10(8-9)12(15)14-11(13(16)17)6-7-18-2/h3-5,8,11H,6-7H2,1-2H3,(H,14,15)(H,16,17)