2-azanyl-2-(carboxymethylsulfanylmethyl)-3-(4-methylphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-azanyl-2-(carboxymethylsulfanylmethyl)-3-(4-methylphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-2-(carboxymethylsulfanylmethyl)-3-oxo-3-(p-tolyl)propanoic acid CAS Name: 2-amino-2-[(carboxymethylthio)methyl]-3-(4-methylphenyl)-3-oxopropanoic acid IUPAC Name: 2-amino-2-(carboxymethylsulfanylmethyl)-3-(4-methylphenyl)-3-oxopropanoic acid Traditional Name: 2-amino-2-[(carboxymethylthio)methyl]-3-keto-3-(p-tolyl)propionic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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