2-acetamido-3-(4-acetamidophenyl)sulfonylsulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(4-acetamidophenyl)sulfonylsulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(4-acetamidophenyl)sulfonylsulfanyl-propanoic acid CAS Name: 2-acetamido-3-[(4-acetamidophenyl)sulfonylthio]propanoic acid IUPAC Name: 2-acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(4-acetamidophenyl)sulfonylthio]propionic acid Formula: C13H16N2O6S2 MolecularWeight: 360.40594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C13H16N2O6S2/c1-8(16)14-10-3-5-11(6-4-10)23(20,21)22-7-12(13(18)19)15-9(2)17/h3-6,12H,7H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)