2-acetamido-3-[2-acetamido-3-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)carbonylsulfanyl-propanoyl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[2-acetamido-3-(6-oxidanylidenecyclohexa-1,3-dien-1-yl)carbonylsulfanyl-propanoyl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[2-acetamido-3-(6-oxocyclohexa-1,3-diene-1-carbonyl)sulfanyl-propanoyl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[2-acetamido-1-oxo-3-[[oxo-(6-oxo-1-cyclohexa-1,3-dienyl)methyl]thio]propyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[2-acetamido-3-(6-oxocyclohexa-1,3-diene-1-carbonyl)sulfanylpropanoyl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[2-acetamido-3-[(6-ketocyclohexa-1,3-diene-1-carbonyl)thio]propanoyl]thio]propionic acid Formula: C17H20N2O7S2 MolecularWeight: 428.4799

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C1=CC=CCC1=O)C(=O)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC(=O)NC(CSC(=O)C1=CC=CCC1=O)C(=O)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C17H20N2O7S2/c1-9(20)18-12(15(23)24)7-28-17(26)13(19-10(2)21)8-27-16(25)11-5-3-4-6-14(11)22/h3-5,12-13H,6-8H2,1-2H3,(H,18,20)(H,19,21)(H,23,24)