2-acetamido-3-[2-acetamido-3-(phenylcarbonylsulfanyl)propanoyl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[2-acetamido-3-(phenylcarbonylsulfanyl)propanoyl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(2-acetamido-3-benzoylsulfanyl-propanoyl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[2-acetamido-3-(benzoylthio)-1-oxopropyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-(2-acetamido-3-benzoylsulfanylpropanoyl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[2-acetamido-3-(benzoylthio)propanoyl]thio]propionic acid Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C1=CC=CC=C1)C(=O)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC(=O)NC(CSC(=O)C1=CC=CC=C1)C(=O)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C17H20N2O6S2/c1-10(20)18-13(15(22)23)8-27-17(25)14(19-11(2)21)9-26-16(24)12-6-4-3-5-7-12/h3-7,13-14H,8-9H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)