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

Systemtic Name: (2S)-2-[2,3-di(hexanoyloxy)propylamino]-3-phosphonooxy-propanoic acid Openeye Name: (2S)-2-[2,3-di(hexanoyloxy)propylamino]-3-phosphonooxy-propanoic acid CAS Name: (2S)-2-[2,3-bis(1-oxohexoxy)propylamino]-3-phosphonooxypropanoic acid IUPAC Name: (2S)-2-[2,3-di(hexanoyloxy)propylamino]-3-phosphonooxypropanoic acid Traditional Name: (2S)-2-(2,3-dicaproyloxypropylamino)-3-phosphonooxy-propionic acid Formula: C18H34NO10P MolecularWeight: 455.437021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(CNC(COP(=O)(O)O)C(=O)O)OC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OCC(CN[C@@H](COP(=O)(O)O)C(=O)O)OC(=O)CCCCC

InChI

InChI=1S/C18H34NO10P/c1-3-5-7-9-16(20)27-12-14(29-17(21)10-8-6-4-2)11-19-15(18(22)23)13-28-30(24,25)26/h14-15,19H,3-13H2,1-2H3,(H,22,23)(H2,24,25,26)/t14?,15-/m0/s1