3-[[2-[[2-(3-hexadecanoyloxypropylcarbamoyl)phenyl]disulfanyl]phenyl]carbonylamino]propyl hexadecanoate

Systemtic Name: 3-[[2-[[2-(3-hexadecanoyloxypropylcarbamoyl)phenyl]disulfanyl]phenyl]carbonylamino]propyl hexadecanoate Openeye Name: 3-[[2-[[2-(3-hexadecanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl hexadecanoate CAS Name: hexadecanoic acid 3-[[oxo-[2-[[2-[oxo-[3-(1-oxohexadecoxy)propylamino]methyl]phenyl]disulfanyl]phenyl]methyl]amino]propyl ester IUPAC Name: 3-[[2-[[2-(3-hexadecanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl hexadecanoate Traditional Name: palmitic acid 3-[[2-[[2-(3-hexadecanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl ester Formula: C52H84N2O6S2 MolecularWeight: 897.36316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C52H84N2O6S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-39-49(55)59-43-33-41-53-51(57)45-35-29-31-37-47(45)61-62-48-38-32-30-36-46(48)52(58)54-42-34-44-60-50(56)40-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35-38H,3-28,33-34,39-44H2,1-2H3,(H,53,57)(H,54,58)