2-acetamido-3-[2-[ethanoyl(phenylcarbonylsulfanyl)amino]propanoylsulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[2-[ethanoyl(phenylcarbonylsulfanyl)amino]propanoylsulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[2-[acetyl(benzoylsulfanyl)amino]propanoylsulfanyl]propanoic acid CAS Name: 2-acetamido-3-[[2-[acetyl-(benzoylthio)amino]-1-oxopropyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[2-[acetyl(benzoylsulfanyl)amino]propanoylsulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[2-[acetyl-(benzoylthio)amino]propanoylthio]propionic acid Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SCC(C(=O)O)NC(=O)C)N(C(=O)C)SC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)SCC(C(=O)O)NC(=O)C)N(C(=O)C)SC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H20N2O6S2/c1-10(16(24)26-9-14(15(22)23)18-11(2)20)19(12(3)21)27-17(25)13-7-5-4-6-8-13/h4-8,10,14H,9H2,1-3H3,(H,18,20)(H,22,23)