2-acetamido-3-[[4-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylcarbonylamino]phenyl]methylcarbamoylsulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[[4-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylcarbonylamino]phenyl]methylcarbamoylsulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[[4-[(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanylcarbonylamino]phenyl]methylcarbamoylsulfanyl]propanoic acid CAS Name: 2-acetamido-3-[[[[4-[[[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-oxomethyl]amino]phenyl]methylamino]-oxomethyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[[4-[(2-acetamido-3-hydroxy-3-oxopropyl)sulfanylcarbonylamino]phenyl]methylcarbamoylsulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[[4-[[(2-acetamido-3-hydroxy-3-keto-propyl)thio]carbonylamino]benzyl]carbamoylthio]propionic acid Formula: C19H24N4O8S2 MolecularWeight: 500.54586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)NCC1=CC=C(C=C1)NC(=O)SCC(C(=O)O)NC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC(=O)NCC1=CC=C(C=C1)NC(=O)SCC(C(=O)O)NC(=O)C)C(=O)O

InChI

InChI=1S/C19H24N4O8S2/c1-10(24)21-14(16(26)27)8-32-18(30)20-7-12-3-5-13(6-4-12)23-19(31)33-9-15(17(28)29)22-11(2)25/h3-6,14-15H,7-9H2,1-2H3,(H,20,30)(H,21,24)(H,22,25)(H,23,31)(H,26,27)(H,28,29)