(2S)-2-[2,3-di(octadecanoyloxy)propylamino]-3-phosphonooxy-propanoic acid

Systemtic Name: (2S)-2-[2,3-di(octadecanoyloxy)propylamino]-3-phosphonooxy-propanoic acid Openeye Name: (2S)-2-[2,3-di(octadecanoyloxy)propylamino]-3-phosphonooxy-propanoic acid CAS Name: (2S)-2-[2,3-bis(1-oxooctadecoxy)propylamino]-3-phosphonooxypropanoic acid IUPAC Name: (2S)-2-[2,3-di(octadecanoyloxy)propylamino]-3-phosphonooxypropanoic acid Traditional Name: (2S)-2-(2,3-distearoyloxypropylamino)-3-phosphonooxy-propionic acid Formula: C42H82NO10P MolecularWeight: 792.074941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CNC(COP(=O)(O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CN[C@@H](COP(=O)(O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)51-36-38(35-43-39(42(46)47)37-52-54(48,49)50)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,43H,3-37H2,1-2H3,(H,46,47)(H2,48,49,50)/t38?,39-/m0/s1