[(2R)-3-imidazol-1-yl-2-(octadecanoylamino)propyl] butanoate

Systemtic Name: [(2R)-3-imidazol-1-yl-2-(octadecanoylamino)propyl] butanoate Openeye Name: [(2R)-3-imidazol-1-yl-2-(octadecanoylamino)propyl] butanoate CAS Name: butanoic acid [(2R)-3-(1-imidazolyl)-2-(1-oxooctadecylamino)propyl] ester IUPAC Name: [(2R)-3-imidazol-1-yl-2-(octadecanoylamino)propyl] butanoate Traditional Name: butyric acid [(2R)-3-imidazol-1-yl-2-stearamido-propyl] ester Formula: C28H51N3O3 MolecularWeight: 477.72284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CN1C=CN=C1)COC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@H](CN1C=CN=C1)COC(=O)CCC

InChI

InChI=1S/C28H51N3O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(32)30-26(23-31-22-21-29-25-31)24-34-28(33)19-4-2/h21-22,25-26H,3-20,23-24H2,1-2H3,(H,30,32)/t26-/m1/s1