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

Systemtic Name: 2-[(4-acetamidophenyl)carbonylamino]-3-(carboxymethylsulfanyl)propanoic acid Openeye Name: 2-[(4-acetamidobenzoyl)amino]-3-(carboxymethylsulfanyl)propanoic acid CAS Name: 2-[[(4-acetamidophenyl)-oxomethyl]amino]-3-(carboxymethylthio)propanoic acid IUPAC Name: 2-[(4-acetamidobenzoyl)amino]-3-(carboxymethylsulfanyl)propanoic acid Traditional Name: 2-[(4-acetamidobenzoyl)amino]-3-(carboxymethylthio)propionic acid Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC(CSCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC(CSCC(=O)O)C(=O)O

InChI

InChI=1S/C14H16N2O6S/c1-8(17)15-10-4-2-9(3-5-10)13(20)16-11(14(21)22)6-23-7-12(18)19/h2-5,11H,6-7H2,1H3,(H,15,17)(H,16,20)(H,18,19)(H,21,22)