[2-heptadecanoyloxy-3-[2-(hexadecanoylamino)propylsulfanyl]propyl] heptadecanoate

Systemtic Name: [2-heptadecanoyloxy-3-[2-(hexadecanoylamino)propylsulfanyl]propyl] heptadecanoate Openeye Name: [2-heptadecanoyloxy-3-[2-(hexadecanoylamino)propylsulfanyl]propyl] heptadecanoate CAS Name: heptadecanoic acid [2-(1-oxoheptadecoxy)-3-[2-(1-oxohexadecylamino)propylthio]propyl] ester IUPAC Name: [2-heptadecanoyloxy-3-[2-(hexadecanoylamino)propylsulfanyl]propyl] heptadecanoate Traditional Name: heptadecanoic acid [2-heptadecanoyloxy-3-(2-palmitamidopropylthio)propyl] ester Formula: C56H109NO5S MolecularWeight: 908.53336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OCC(CSCC(C)NC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OCC(CSCC(C)NC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C56H109NO5S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-55(59)61-49-53(62-56(60)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)51-63-50-52(4)57-54(58)46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h52-53H,5-51H2,1-4H3,(H,57,58)