(2S)-2-azanyl-3-[(2-nonadecanoyloxy-3-octadecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxy-propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[(2-nonadecanoyloxy-3-octadecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxy-propanoic acid Openeye Name: (2S)-2-amino-3-[hydroxy-(2-nonadecanoyloxy-3-octadecanoyloxy-propoxy)phosphoryl]oxy-propanoic acid CAS Name: (2S)-2-amino-3-[hydroxy-[2-(1-oxononadecoxy)-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxypropanoic acid IUPAC Name: (2S)-2-amino-3-[hydroxy-(2-nonadecanoyloxy-3-octadecanoyloxypropoxy)phosphoryl]oxypropanoic acid Traditional Name: (2S)-2-amino-3-[hydroxy-(2-nonadecanoyloxy-3-stearoyloxy-propoxy)phosphoryl]oxy-propionic acid Formula: C43H84NO10P MolecularWeight: 806.101521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N

InChI

InChI=1S/C43H84NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-38,44H2,1-2H3,(H,47,48)(H,49,50)/t39?,40-/m0/s1