2-azaniumyl-3-[2-(dodecanoylamino)octoxy-oxidanyl-phosphoryl]oxy-propanoate

Systemtic Name: 2-azaniumyl-3-[2-(dodecanoylamino)octoxy-oxidanyl-phosphoryl]oxy-propanoate Openeye Name: 2-azaniumyl-3-[2-(dodecanoylamino)octoxy-hydroxy-phosphoryl]oxy-propanoate CAS Name: 2-ammonio-3-[hydroxy-[2-(1-oxododecylamino)octoxy]phosphoryl]oxypropanoate IUPAC Name: 2-azaniumyl-3-[2-(dodecanoylamino)octoxy-hydroxyphosphoryl]oxypropanoate Traditional Name: 2-ammonio-3-[hydroxy-[2-(lauroylamino)octoxy]phosphoryl]oxy-propionate Formula: C23H47N2O7P MolecularWeight: 494.602241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCCCCC)COP(=O)(O)OCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CCCCCC)COP(=O)(O)OCC(C(=O)[O-])[NH3+]

InChI

InChI=1S/C23H47N2O7P/c1-3-5-7-9-10-11-12-13-15-17-22(26)25-20(16-14-8-6-4-2)18-31-33(29,30)32-19-21(24)23(27)28/h20-21H,3-19,24H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)