3-[[2-[[2-(3-dodecanoyloxypropylcarbamoyl)phenyl]disulfanyl]phenyl]carbonylamino]propyl dodecanoate

Systemtic Name: 3-[[2-[[2-(3-dodecanoyloxypropylcarbamoyl)phenyl]disulfanyl]phenyl]carbonylamino]propyl dodecanoate Openeye Name: 3-[[2-[[2-(3-dodecanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl dodecanoate CAS Name: dodecanoic acid 3-[[oxo-[2-[[2-[oxo-[3-(1-oxododecoxy)propylamino]methyl]phenyl]disulfanyl]phenyl]methyl]amino]propyl ester IUPAC Name: 3-[[2-[[2-(3-dodecanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl dodecanoate Traditional Name: lauric acid 3-[[2-[[2-(3-lauroyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl ester Formula: C44H68N2O6S2 MolecularWeight: 785.15052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCCCCCCCCCC

InChI

InChI=1S/C44H68N2O6S2/c1-3-5-7-9-11-13-15-17-19-31-41(47)51-35-25-33-45-43(49)37-27-21-23-29-39(37)53-54-40-30-24-22-28-38(40)44(50)46-34-26-36-52-42(48)32-20-18-16-14-12-10-8-6-4-2/h21-24,27-30H,3-20,25-26,31-36H2,1-2H3,(H,45,49)(H,46,50)