3-[2,3-bis(octadecylcarbamoyloxy)propylsulfanyl]propanoic acid

Systemtic Name: 3-[2,3-bis(octadecylcarbamoyloxy)propylsulfanyl]propanoic acid Openeye Name: 3-[2,3-bis(octadecylcarbamoyloxy)propylsulfanyl]propanoic acid CAS Name: 3-[2,3-bis[(octadecylamino)-oxomethoxy]propylthio]propanoic acid IUPAC Name: 3-[2,3-bis(octadecylcarbamoyloxy)propylsulfanyl]propanoic acid Traditional Name: 3-[2,3-bis(stearylcarbamoyloxy)propylthio]propionic acid Formula: C44H86N2O6S MolecularWeight: 771.22844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CSCCC(=O)O)OC(=O)NCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CSCCC(=O)O)OC(=O)NCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H86N2O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-45-43(49)51-39-41(40-53-38-35-42(47)48)52-44(50)46-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-40H2,1-2H3,(H,45,49)(H,46,50)(H,47,48)