2-azanylethyl-[(E,2S,3R)-3-oxidanyl-2-(tetradecanoylamino)octadec-4-enoxy]phosphinic acid

Systemtic Name: 2-azanylethyl-[(E,2S,3R)-3-oxidanyl-2-(tetradecanoylamino)octadec-4-enoxy]phosphinic acid Openeye Name: 2-aminoethyl-[(E,2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadec-4-enoxy]phosphinic acid CAS Name: 2-aminoethyl-[(E,2S,3R)-3-hydroxy-2-(1-oxotetradecylamino)octadec-4-enoxy]phosphinic acid IUPAC Name: 2-aminoethyl-[(E,2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadec-4-enoxy]phosphinic acid Traditional Name: 2-aminoethyl-[(E,2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadec-4-enoxy]phosphinic acid Formula: C34H69N2O5P MolecularWeight: 616.895821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(CCN)O)NC(=O)CCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(CCN)O)NC(=O)CCCCCCCCCCCCC)O

InChI

InChI=1S/C34H69N2O5P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-33(37)32(31-41-42(39,40)30-29-35)36-34(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,32-33,37H,3-24,26,28-31,35H2,1-2H3,(H,36,38)(H,39,40)/b27-25+/t32-,33+/m0/s1