(2R,3R)-3-[[(2R)-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxypyrrolidine-2-carboxylic acid

Systemtic Name: (2R,3R)-3-[[(2R)-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxypyrrolidine-2-carboxylic acid Openeye Name: (2R,3R)-3-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxy-propoxy]phosphoryl]oxypyrrolidine-2-carboxylic acid CAS Name: (2R,3R)-3-[hydroxy-[(2R)-2-hydroxy-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,3R)-3-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxypropoxy]phosphoryl]oxypyrrolidine-2-carboxylic acid Traditional Name: (2R,3R)-3-[hydroxy-[(2R)-2-hydroxy-3-stearoyloxy-propoxy]phosphoryl]oxyproline Formula: C26H50NO9P MolecularWeight: 551.650261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1CCNC1C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1CCN[C@H]1C(=O)O)O

InChI

InChI=1S/C26H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)34-20-22(28)21-35-37(32,33)36-23-18-19-27-25(23)26(30)31/h22-23,25,27-28H,2-21H2,1H3,(H,30,31)(H,32,33)/t22-,23-,25-/m1/s1