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2-acetamido-3-[6-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoic acid

2-acetamido-3-[6-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoic acid

Systemtic Name:2-acetamido-3-[6-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoic acid
Openeye Name:2-acetamido-3-[6-[(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoic acid
CAS Name:2-acetamido-3-[[[6-[[[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-oxomethyl]amino]hexylamino]-oxomethyl]thio]propanoic acid
IUPAC Name:2-acetamido-3-[6-[(2-acetamido-3-hydroxy-3-oxopropyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoic acid
Traditional Name:2-acetamido-3-[6-[[(2-acetamido-3-hydroxy-3-keto-propyl)thio]carbonylamino]hexylcarbamoylthio]propionic acid
Formula: C18H30N4O8S2
MolecularWeight: 494.5828
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H30N4O8S2/c1-11(23)21-13(15(25)26)9-31-17(29)19-7-5-3-4-6-8-20-18(30)32-10-14(16(27)28)22-12(2)24/h13-14H,3-10H2,1-2H3,(H,19,29)(H,20,30)(H,21,23)(H,22,24)(H,25,26)(H,27,28)


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