3-[2-hexadecanoyloxy-3-(octadecylcarbamoyloxy)propyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-hexadecanoyloxy-3-(octadecylcarbamoyloxy)propyl]sulfanylpropanoic acid Openeye Name: 3-[2-hexadecanoyloxy-3-(octadecylcarbamoyloxy)propyl]sulfanylpropanoic acid CAS Name: 3-[[3-[(octadecylamino)-oxomethoxy]-2-(1-oxohexadecoxy)propyl]thio]propanoic acid IUPAC Name: 3-[2-hexadecanoyloxy-3-(octadecylcarbamoyloxy)propyl]sulfanylpropanoic acid Traditional Name: 3-[[2-hexadecanoyloxy-3-(stearylcarbamoyloxy)propyl]thio]propionic acid Formula: C41H79NO6S MolecularWeight: 714.13406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H79NO6S/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-42-41(46)47-36-38(37-49-35-33-39(43)44)48-40(45)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h38H,3-37H2,1-2H3,(H,42,46)(H,43,44)