2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoic acid Openeye Name: 2-[3-(p-tolylsulfanyl)propanoylamino]propanoic acid CAS Name: 2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoic acid Traditional Name: 2-[3-(p-tolylthio)propanoylamino]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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