[3-(hexadecanoylamino)-2-(2-tetradecylsulfanylethanoyloxy)propyl] 2-tetradecylsulfanylethanoate

Systemtic Name: [3-(hexadecanoylamino)-2-(2-tetradecylsulfanylethanoyloxy)propyl] 2-tetradecylsulfanylethanoate Openeye Name: [3-(hexadecanoylamino)-2-(2-tetradecylsulfanylacetyl)oxy-propyl] 2-tetradecylsulfanylacetate CAS Name: 2-(tetradecylthio)acetic acid [3-(1-oxohexadecylamino)-2-[1-oxo-2-(tetradecylthio)ethoxy]propyl] ester IUPAC Name: [3-(hexadecanoylamino)-2-(2-tetradecylsulfanylacetyl)oxypropyl] 2-tetradecylsulfanylacetate Traditional Name: 2-(myristylthio)acetic acid [2-[2-(myristylthio)acetyl]oxy-3-palmitamido-propyl] ester Formula: C51H99NO5S2 MolecularWeight: 870.46546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCC(COC(=O)CSCCCCCCCCCCCCCC)OC(=O)CSCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCC(COC(=O)CSCCCCCCCCCCCCCC)OC(=O)CSCCCCCCCCCCCCCC

InChI

InChI=1S/C51H99NO5S2/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-49(53)52-44-48(57-51(55)47-59-43-40-37-34-31-28-24-21-18-15-12-9-6-3)45-56-50(54)46-58-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3,(H,52,53)