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

Systemtic Name: 3-(carboxymethylsulfanyl)-2-[(4-methoxyphenyl)carbonylamino]propanoic acid Openeye Name: 3-(carboxymethylsulfanyl)-2-[(4-methoxybenzoyl)amino]propanoic acid CAS Name: 3-(carboxymethylthio)-2-[[(4-methoxyphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(carboxymethylsulfanyl)-2-[(4-methoxybenzoyl)amino]propanoic acid Traditional Name: 3-(carboxymethylthio)-2-(p-anisoylamino)propionic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(CSCC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(CSCC(=O)O)C(=O)O

InChI

InChI=1S/C13H15NO6S/c1-20-9-4-2-8(3-5-9)12(17)14-10(13(18)19)6-21-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,16)(H,18,19)