2-acetamido-3-[[4-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylcarbothioylamino]phenyl]carbamothioylsulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[[4-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylcarbothioylamino]phenyl]carbamothioylsulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[[4-[(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanylcarbothioylamino]phenyl]carbamothioylsulfanyl]propanoic acid CAS Name: 2-acetamido-3-[[[4-[[[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[[4-[(2-acetamido-3-hydroxy-3-oxopropyl)sulfanylcarbothioylamino]phenyl]carbamothioylsulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[[4-[[(2-acetamido-3-hydroxy-3-keto-propyl)thio]carbothioylamino]phenyl]thiocarbamoylthio]propionic acid Formula: C18H22N4O6S4 MolecularWeight: 518.65048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6S4/c1-9(23)19-13(15(25)26)7-31-17(29)21-11-3-5-12(6-4-11)22-18(30)32-8-14(16(27)28)20-10(2)24/h3-6,13-14H,7-8H2,1-2H3,(H,19,23)(H,20,24)(H,21,29)(H,22,30)(H,25,26)(H,27,28)