[3-[2-(hexadecanoylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [3-[2-(hexadecanoylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[3-tert-butoxy-2-(hexadecanoylamino)-3-oxo-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[[3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(1-oxohexadecylamino)propyl]thio]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[2-(hexadecanoylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[(3-tert-butoxy-3-keto-2-palmitamido-propyl)thio]-2-hexadecanoyloxy-propyl] ester Formula: C58H111NO7S MolecularWeight: 966.56944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H111NO7S/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-54(60)59-53(57(63)66-58(4,5)6)51-67-50-52(65-56(62)48-45-42-39-36-33-30-27-24-21-18-15-12-9-3)49-64-55(61)47-44-41-38-35-32-29-26-23-20-17-14-11-8-2/h52-53H,7-51H2,1-6H3,(H,59,60)