[(2R)-3-[2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [(2R)-3-[2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [(2R)-3-[2-(hexadecanoylamino)-3-oxo-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-2-(1-oxohexadecoxy)-3-[[3-oxo-2-(1-oxohexadecylamino)propyl]thio]propyl] ester IUPAC Name: [(2R)-3-[2-(hexadecanoylamino)-3-oxopropyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-2-hexadecanoyloxy-3-[(3-keto-2-palmitamido-propyl)thio]propyl] ester Formula: C54H103NO6S MolecularWeight: 894.46372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C=O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C=O

InChI

InChI=1S/C54H103NO6S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-52(57)55-50(46-56)48-62-49-51(61-54(59)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-60-53(58)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h46,50-51H,4-45,47-49H2,1-3H3,(H,55,57)/t50?,51-/m1/s1