3-[[2-[[2-(3-decanoyloxypropylcarbamoyl)phenyl]disulfanyl]phenyl]carbonylamino]propyl decanoate

Systemtic Name: 3-[[2-[[2-(3-decanoyloxypropylcarbamoyl)phenyl]disulfanyl]phenyl]carbonylamino]propyl decanoate Openeye Name: 3-[[2-[[2-(3-decanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl decanoate CAS Name: decanoic acid 3-[[oxo-[2-[[2-[oxo-[3-(1-oxodecoxy)propylamino]methyl]phenyl]disulfanyl]phenyl]methyl]amino]propyl ester IUPAC Name: 3-[[2-[[2-(3-decanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl decanoate Traditional Name: capric acid 3-[[2-[[2-(3-capryloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl ester Formula: C40H60N2O6S2 MolecularWeight: 729.0442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCCCCCCCC

InChI

InChI=1S/C40H60N2O6S2/c1-3-5-7-9-11-13-15-27-37(43)47-31-21-29-41-39(45)33-23-17-19-25-35(33)49-50-36-26-20-18-24-34(36)40(46)42-30-22-32-48-38(44)28-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-32H2,1-2H3,(H,41,45)(H,42,46)