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

Systemtic Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]butanoic acid Openeye Name: 2-[3-(p-tolylsulfanyl)propanoylamino]butanoic acid CAS Name: 2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]butanoic acid IUPAC Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]butanoic acid Traditional Name: 2-[3-(p-tolylthio)propanoylamino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)C

Isomeric SMILES

CCC(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)C

InChI

InChI=1S/C14H19NO3S/c1-3-12(14(17)18)15-13(16)8-9-19-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)