(2S)-2-[3-(4-methylphenyl)sulfanylpropanoylamino]butanedioic acid

Systemtic Name: (2S)-2-[3-(4-methylphenyl)sulfanylpropanoylamino]butanedioic acid Openeye Name: (2S)-2-[3-(p-tolylsulfanyl)propanoylamino]butanedioic acid CAS Name: (2S)-2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]butanedioic acid IUPAC Name: (2S)-2-[3-(4-methylphenyl)sulfanylpropanoylamino]butanedioic acid Traditional Name: (2S)-2-[3-(p-tolylthio)propanoylamino]succinic acid Formula: C14H17NO5S MolecularWeight: 311.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-9-2-4-10(5-3-9)21-7-6-12(16)15-11(14(19)20)8-13(17)18/h2-5,11H,6-8H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1