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

Systemtic Name: [3-[(2R)-2-(hexadecanoylamino)-3-methoxy-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[(2R)-2-(hexadecanoylamino)-3-methoxy-3-oxo-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[[(2R)-3-methoxy-3-oxo-2-(1-oxohexadecylamino)propyl]thio]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[(2R)-2-(hexadecanoylamino)-3-methoxy-3-oxopropyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [2-hexadecanoyloxy-3-[[(2R)-3-keto-3-methoxy-2-palmitamido-propyl]thio]propyl] ester Formula: C55H105NO7S MolecularWeight: 924.4897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)OC

InChI

InChI=1S/C55H105NO7S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-52(57)56-51(55(60)61-4)49-64-48-50(63-54(59)46-43-40-37-34-31-28-25-22-19-16-13-10-7-3)47-62-53(58)45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h50-51H,5-49H2,1-4H3,(H,56,57)/t50?,51-/m0/s1