
 CHEMBL332472

 70 68  0  0  0  0  0  0  0  0999 V2000
    1.9492   -0.5972    0.2274 C   0  0  0  0  0
    3.4502   -0.3619    0.2720 C   0  0  0  0  0
    3.7883    1.1246    0.1623 C   0  0  0  0  0
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   15.3303   11.0680    0.9670 C   0  0  0  0  0
   15.5612   12.2644    1.1688 O   0  0  0  0  0
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    3.9235   -0.9132   -0.5490 H   0  0  0  0  0
    3.8521   -0.7668    1.2081 H   0  0  0  0  0
    3.3288    1.6712    0.9946 H   0  0  0  0  0
    3.3631    1.5293   -0.7644 H   0  0  0  0  0
    5.7565    0.7824   -0.6503 H   0  0  0  0  0
    5.7272    0.9610    1.1050 H   0  0  0  0  0
    5.2487    3.3924    0.8771 H   0  0  0  0  0
    5.1745    3.2300   -0.8793 H   0  0  0  0  0
    7.5628    2.4222   -0.8823 H   0  0  0  0  0
    7.6368    2.6794    0.8616 H   0  0  0  0  0
    7.1988    5.1011    0.5588 H   0  0  0  0  0
    6.9862    4.8736   -1.1791 H   0  0  0  0  0
    9.3508    4.0338   -1.3495 H   0  0  0  0  0
    9.5623    4.3141    0.3798 H   0  0  0  0  0
    9.0990    6.7432    0.0535 H   0  0  0  0  0
    8.8534    6.4808   -1.6753 H   0  0  0  0  0
   11.1937    5.6906   -1.9277 H   0  0  0  0  0
   11.4427    5.8190   -0.1855 H   0  0  0  0  0
   10.9415    8.2927   -0.3375 H   0  0  0  0  0
   10.8541    8.1474   -2.0945 H   0  0  0  0  0
   13.1976    7.4549   -2.2338 H   0  0  0  0  0
   13.2906    7.2447   -0.4868 H   0  0  0  0  0
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   15.3084    9.3157   -1.8701 H   0  0  0  0  0
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   15.2257   11.4670   -0.9670 H   0  0  0  0  0
   15.4112   10.6714    3.0561 H   0  0  0  0  0
   13.9272    8.4883    1.5478 H   0  0  0  0  0
   13.1406    9.9876    2.0734 H   0  0  0  0  0
   12.0870    5.8987    3.0501 H   0  0  0  0  0
   12.5758    7.9829    5.9483 H   0  0  0  0  0
   17.3292    9.7893    2.1516 H   0  0  0  0  0
   16.5561    8.7130    1.2100 H   0  0  0  0  0
   -0.1643    1.8600   -2.2930 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
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 32 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL332472

>  <PubChem CID>
44342374

>  <Formula>
C19H38F3N2O7P

>  <Molecular Weight>
494.489000

>  <IUPAC Name>
[(2R)-2-amino-3-oxo-3-(tetradecylamino)propyl] dihydrogen phosphate;2,2,2-trifluoroacetic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CCCCCCCCCCCCCCNC(=O)C(COP(=O)(O)O)N.C(=O)(C(F)(F)F)O

>  <Isomeric SMILES>
CCCCCCCCCCCCCCNC(=O)[C@@H](COP(=O)(O)O)N.C(=O)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C17H37N2O5P.C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17(20)16(18)15-24-25(21,22)23;3-2(4,5)1(6)7/h16H,2-15,18H2,1H3,(H,19,20)(H2,21,22,23);(H,6,7)/t16-;/m1./s1

>  <InChI Key>
BVDDKKFUHSGVTL-PKLMIRHRSA-N

