3-(carboxymethylsulfanyl)-2-[(4-methylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(carboxymethylsulfanyl)-2-[(4-methylphenyl)carbonylamino]propanoic acid Openeye Name: 3-(carboxymethylsulfanyl)-2-[(4-methylbenzoyl)amino]propanoic acid CAS Name: 3-(carboxymethylthio)-2-[[(4-methylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(carboxymethylsulfanyl)-2-[(4-methylbenzoyl)amino]propanoic acid Traditional Name: 3-(carboxymethylthio)-2-(p-toluoylamino)propionic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S/c1-8-2-4-9(5-3-8)12(17)14-10(13(18)19)6-20-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,16)(H,18,19)