1-[[2-[[2-(2-dodecanoyloxypropylcarbamoyl)phenyl]disulfanyl]phenyl]carbonylamino]propan-2-yl dodecanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(C)CNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCC(C)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(C)CNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCC(C)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C44H68N2O6S2/c1-5-7-9-11-13-15-17-19-21-31-41(47)51-35(3)33-45-43(49)37-27-23-25-29-39(37)53-54-40-30-26-24-28-38(40)44(50)46-34-36(4)52-42(48)32-22-20-18-16-14-12-10-8-6-2/h23-30,35-36H,5-22,31-34H2,1-4H3,(H,45,49)(H,46,50)