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

Systemtic Name: 2-azanyl-3-[(2-icosanoyloxy-3-octadecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxy-propanoic acid Openeye Name: 2-amino-3-[hydroxy-(2-icosanoyloxy-3-octadecanoyloxy-propoxy)phosphoryl]oxy-propanoic acid CAS Name: 2-amino-3-[hydroxy-[2-(1-oxoeicosoxy)-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxypropanoic acid IUPAC Name: 2-amino-3-[hydroxy-(2-icosanoyloxy-3-octadecanoyloxypropoxy)phosphoryl]oxypropanoic acid Traditional Name: 2-amino-3-[(2-eicosanoyloxy-3-stearoyloxy-propoxy)-hydroxy-phosphoryl]oxy-propionic acid Formula: C44H86NO10P MolecularWeight: 820.128101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H86NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h40-41H,3-39,45H2,1-2H3,(H,48,49)(H,50,51)