[(2S)-3-bis(phenylmethoxy)phosphoryloxy-2-(octadecanoylamino)propyl] butanoate

Systemtic Name: [(2S)-3-bis(phenylmethoxy)phosphoryloxy-2-(octadecanoylamino)propyl] butanoate Openeye Name: [(2S)-3-dibenzyloxyphosphoryloxy-2-(octadecanoylamino)propyl] butanoate CAS Name: butanoic acid [(2S)-3-bis(phenylmethoxy)phosphoryloxy-2-(1-oxooctadecylamino)propyl] ester IUPAC Name: [(2S)-3-bis(phenylmethoxy)phosphoryloxy-2-(octadecanoylamino)propyl] butanoate Traditional Name: butyric acid [(2S)-3-dibenzoxyphosphoryloxy-2-stearamido-propyl] ester Formula: C39H62NO7P MolecularWeight: 687.885841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COC(=O)CCC)COP(=O)(OCC1=CC=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COC(=O)CCC)COP(=O)(OCC1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C39H62NO7P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-38(41)40-37(33-44-39(42)25-4-2)34-47-48(43,45-31-35-26-20-18-21-27-35)46-32-36-28-22-19-23-29-36/h18-23,26-29,37H,3-17,24-25,30-34H2,1-2H3,(H,40,41)/t37-/m0/s1