(2S)-2-azanyl-3-[[(2R)-3-hexadecanoyloxy-2-icosanoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[[(2R)-3-hexadecanoyloxy-2-icosanoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid Openeye Name: (2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-icosanoyloxy-propoxy]-hydroxy-phosphoryl]oxy-propanoic acid CAS Name: (2S)-2-amino-3-[hydroxy-[(2R)-2-(1-oxoeicosoxy)-3-(1-oxohexadecoxy)propoxy]phosphoryl]oxypropanoic acid IUPAC Name: (2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-icosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid Traditional Name: (2S)-2-amino-3-[[(2R)-2-eicosanoyloxy-3-hexadecanoyloxy-propoxy]-hydroxy-phosphoryl]oxy-propionic acid Formula: C42H82NO10P MolecularWeight: 792.074941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N

InChI

InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1