3-[[2-[[2-(3-icosanoyloxypropylcarbamoyl)phenyl]disulfanyl]phenyl]carbonylamino]propyl icosanoate

Systemtic Name: 3-[[2-[[2-(3-icosanoyloxypropylcarbamoyl)phenyl]disulfanyl]phenyl]carbonylamino]propyl icosanoate Openeye Name: 3-[[2-[[2-(3-icosanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl icosanoate CAS Name: eicosanoic acid 3-[[oxo-[2-[[2-[oxo-[3-(1-oxoeicosoxy)propylamino]methyl]phenyl]disulfanyl]phenyl]methyl]amino]propyl ester IUPAC Name: 3-[[2-[[2-(3-icosanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl icosanoate Traditional Name: arachidic acid 3-[[2-[[2-(3-eicosanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl ester Formula: C60H100N2O6S2 MolecularWeight: 1009.5758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C60H100N2O6S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-47-57(63)67-51-41-49-61-59(65)53-43-37-39-45-55(53)69-70-56-46-40-38-44-54(56)60(66)62-50-42-52-68-58(64)48-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-40,43-46H,3-36,41-42,47-52H2,1-2H3,(H,61,65)(H,62,66)