(2S)-2-[(2-nonadecanoyloxy-3-octadecanoyloxy-propyl)amino]-3-phosphonooxy-propanoic acid

Systemtic Name: (2S)-2-[(2-nonadecanoyloxy-3-octadecanoyloxy-propyl)amino]-3-phosphonooxy-propanoic acid Openeye Name: (2S)-2-[(2-nonadecanoyloxy-3-octadecanoyloxy-propyl)amino]-3-phosphonooxy-propanoic acid CAS Name: (2S)-2-[[2-(1-oxononadecoxy)-3-(1-oxooctadecoxy)propyl]amino]-3-phosphonooxypropanoic acid IUPAC Name: (2S)-2-[(2-nonadecanoyloxy-3-octadecanoyloxypropyl)amino]-3-phosphonooxypropanoic acid Traditional Name: (2S)-2-[(2-nonadecanoyloxy-3-stearoyloxy-propyl)amino]-3-phosphonooxy-propionic acid Formula: C43H84NO10P MolecularWeight: 806.101521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)OC(CNC(COP(=O)(O)O)C(=O)O)COC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

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

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(36-44-40(43(47)48)38-53-55(49,50)51)37-52-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40,44H,3-38H2,1-2H3,(H,47,48)(H2,49,50,51)/t39?,40-/m0/s1