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

Systemtic Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[3-(p-tolylsulfanyl)propanoylamino]propanoic acid CAS Name: 3-hydroxy-2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoic acid Traditional Name: 3-hydroxy-2-[3-(p-tolylthio)propanoylamino]propionic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-9-2-4-10(5-3-9)19-7-6-12(16)14-11(8-15)13(17)18/h2-5,11,15H,6-8H2,1H3,(H,14,16)(H,17,18)