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

Systemtic Name: 2-acetamido-3-[4-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylcarbonylamino]butylcarbamoylsulfanyl]propanoic acid Openeye Name: 2-acetamido-3-[4-[(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanylcarbonylamino]butylcarbamoylsulfanyl]propanoic acid CAS Name: 2-acetamido-3-[[[4-[[[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-oxomethyl]amino]butylamino]-oxomethyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[4-[(2-acetamido-3-hydroxy-3-oxopropyl)sulfanylcarbonylamino]butylcarbamoylsulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[4-[[(2-acetamido-3-hydroxy-3-keto-propyl)thio]carbonylamino]butylcarbamoylthio]propionic acid Formula: C16H26N4O8S2 MolecularWeight: 466.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O8S2/c1-9(21)19-11(13(23)24)7-29-15(27)17-5-3-4-6-18-16(28)30-8-12(14(25)26)20-10(2)22/h11-12H,3-8H2,1-2H3,(H,17,27)(H,18,28)(H,19,21)(H,20,22)(H,23,24)(H,25,26)