methyl 3-[6-[(3-methoxy-3-oxidanylidene-propyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoate

Systemtic Name: methyl 3-[6-[(3-methoxy-3-oxidanylidene-propyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoate Openeye Name: methyl 3-[6-[(3-methoxy-3-oxo-propyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoate CAS Name: 3-[[[6-[[[(3-methoxy-3-oxopropyl)thio]-oxomethyl]amino]hexylamino]-oxomethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[(3-methoxy-3-oxopropyl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]propanoate Traditional Name: 3-[6-[[(3-keto-3-methoxy-propyl)thio]carbonylamino]hexylcarbamoylthio]propionic acid methyl ester Formula: C16H28N2O6S2 MolecularWeight: 408.53332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(=O)NCCCCCCNC(=O)SCCC(=O)OC

Isomeric SMILES

COC(=O)CCSC(=O)NCCCCCCNC(=O)SCCC(=O)OC

InChI

InChI=1S/C16H28N2O6S2/c1-23-13(19)7-11-25-15(21)17-9-5-3-4-6-10-18-16(22)26-12-8-14(20)24-2/h3-12H2,1-2H3,(H,17,21)(H,18,22)