1,3-bis(octadecanoylamino)propan-2-yl 2-tetradecylsulfanylethanoate

Systemtic Name: 1,3-bis(octadecanoylamino)propan-2-yl 2-tetradecylsulfanylethanoate Openeye Name: [2-(octadecanoylamino)-1-[(octadecanoylamino)methyl]ethyl] 2-tetradecylsulfanylacetate CAS Name: 2-(tetradecylthio)acetic acid 1,3-bis(1-oxooctadecylamino)propan-2-yl ester IUPAC Name: 1,3-bis(octadecanoylamino)propan-2-yl 2-tetradecylsulfanylacetate Traditional Name: 2-(myristylthio)acetic acid [2-stearamido-1-(stearamidomethyl)ethyl] ester Formula: C55H108N2O4S MolecularWeight: 893.52202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CSCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CSCCCCCCCCCCCCCC

InChI

InChI=1S/C55H108N2O4S/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-53(58)56-49-52(61-55(60)51-62-48-45-42-39-36-33-24-21-18-15-12-9-6-3)50-57-54(59)47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h52H,4-51H2,1-3H3,(H,56,58)(H,57,59)