3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]propanoic acid

Systemtic Name: 3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]propanoic acid Openeye Name: 3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]propanoic acid CAS Name: 3-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]propanoic acid Traditional Name: 3-[3-[(3,4-dimethylphenyl)thio]propanoylamino]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NCCC(=O)O)C

InChI

InChI=1S/C14H19NO3S/c1-10-3-4-12(9-11(10)2)19-8-6-13(16)15-7-5-14(17)18/h3-4,9H,5-8H2,1-2H3,(H,15,16)(H,17,18)