(2S)-2-acetamido-3-(4-acetamidophenyl)sulfonylsulfanyl-propanoate

Systemtic Name: (2S)-2-acetamido-3-(4-acetamidophenyl)sulfonylsulfanyl-propanoate Openeye Name: (2S)-2-acetamido-3-(4-acetamidophenyl)sulfonylsulfanyl-propanoate CAS Name: (2S)-2-acetamido-3-[(4-acetamidophenyl)sulfonylthio]propanoate IUPAC Name: (2S)-2-acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoate Traditional Name: (2S)-2-acetamido-3-[(4-acetamidophenyl)sulfonylthio]propionate Formula: C13H15N2O6S2- MolecularWeight: 359.398

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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)SC[C@H](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)/p-1/t12-/m1/s1