(2R)-2-[3-(4-methylphenyl)sulfanylpropanoylamino]pentanedioic acid

Systemtic Name: (2R)-2-[3-(4-methylphenyl)sulfanylpropanoylamino]pentanedioic acid Openeye Name: (2R)-2-[3-(p-tolylsulfanyl)propanoylamino]pentanedioic acid CAS Name: (2R)-2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: (2R)-2-[3-(4-methylphenyl)sulfanylpropanoylamino]pentanedioic acid Traditional Name: (2R)-2-[3-(p-tolylthio)propanoylamino]glutaric acid Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5S/c1-10-2-4-11(5-3-10)22-9-8-13(17)16-12(15(20)21)6-7-14(18)19/h2-5,12H,6-9H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t12-/m1/s1