3-[[2-[[2-(3-octanoyloxypropylcarbamoyl)phenyl]disulfanyl]phenyl]carbonylamino]propyl octanoate

Systemtic Name: 3-[[2-[[2-(3-octanoyloxypropylcarbamoyl)phenyl]disulfanyl]phenyl]carbonylamino]propyl octanoate Openeye Name: 3-[[2-[[2-(3-octanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl octanoate CAS Name: octanoic acid 3-[[oxo-[2-[[2-[oxo-[3-(1-oxooctoxy)propylamino]methyl]phenyl]disulfanyl]phenyl]methyl]amino]propyl ester IUPAC Name: 3-[[2-[[2-(3-octanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl octanoate Traditional Name: caprylic acid 3-[[2-[[2-(3-caprylyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl ester Formula: C36H52N2O6S2 MolecularWeight: 672.93788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCCOC(=O)CCCCCCC

InChI

InChI=1S/C36H52N2O6S2/c1-3-5-7-9-11-23-33(39)43-27-17-25-37-35(41)29-19-13-15-21-31(29)45-46-32-22-16-14-20-30(32)36(42)38-26-18-28-44-34(40)24-12-10-8-6-4-2/h13-16,19-22H,3-12,17-18,23-28H2,1-2H3,(H,37,41)(H,38,42)