[(E,2S,3R)-3-acetyloxy-2-(octadecanoylamino)octadec-4-enyl] ethanoate

Systemtic Name: [(E,2S,3R)-3-acetyloxy-2-(octadecanoylamino)octadec-4-enyl] ethanoate Openeye Name: [(E,2S,3R)-3-acetoxy-2-(octadecanoylamino)octadec-4-enyl] acetate CAS Name: acetic acid [(E,2S,3R)-3-acetyloxy-2-(1-oxooctadecylamino)octadec-4-enyl] ester IUPAC Name: [(E,2S,3R)-3-acetyloxy-2-(octadecanoylamino)octadec-4-enyl] acetate Traditional Name: acetic acid [(E,2S,3R)-3-acetoxy-2-stearamido-octadec-4-enyl] ester Formula: C40H75NO5 MolecularWeight: 650.0272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COC(=O)C)C(C=CCCCCCCCCCCCCC)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COC(=O)C)[C@@H](/C=C/CCCCCCCCCCCCC)OC(=O)C

InChI

InChI=1S/C40H75NO5/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-40(44)41-38(35-45-36(3)42)39(46-37(4)43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h31,33,38-39H,5-30,32,34-35H2,1-4H3,(H,41,44)/b33-31+/t38-,39+/m0/s1