
 CHEMBL324358

 56 55  0  0  0  0  0  0  0  0999 V2000
    2.3455    4.4565    1.6996 C   0  0  0  0  0
    3.7338    4.1863    2.2583 C   0  0  0  0  0
    4.7893    3.9290    1.1800 C   0  0  0  0  0
    5.0794    5.1568    0.3128 C   0  0  0  0  0
    6.1245    4.8972   -0.7767 C   0  0  0  0  0
    7.5216    4.6136   -0.2240 C   0  0  0  0  0
    8.5436    4.4702   -1.3534 C   0  0  0  0  0
    9.9422    4.2067   -0.7959 C   0  0  0  0  0
   10.9763    4.0900   -1.9173 C   0  0  0  0  0
   12.3733    3.7314   -1.4086 C   0  0  0  0  0
   12.9867    4.8081   -0.5056 C   0  0  0  0  0
   14.4005    4.4463   -0.0586 C   0  0  0  0  0
   14.3969    3.2344    0.7260 N   0  0  0  0  0
   15.2845    2.1993    0.5495 C   0  0  0  0  0
   16.1813    2.2005   -0.2885 O   0  0  0  0  0
   15.0015    1.0024    1.4718 C   0  0  0  0  0
   16.3250    0.4053    1.9570 C   0  0  0  0  0
   16.0516   -0.6730    2.8450 O   0  0  0  0  0
   17.3029   -1.2807    3.6284 P   0  0  0  0  0
   18.4469   -1.7662    2.8117 O   0  0  0  0  0
   17.6786   -0.1666    4.7057 O   0  0  0  0  0
   16.6383   -2.4064    4.5421 O   0  0  0  0  0
   14.1207    1.4010    2.6134 N   0  0  0  0  0
    1.6213    4.5356    2.5167 H   0  0  0  0  0
    2.0232    3.6458    1.0386 H   0  0  0  0  0
    2.3128    5.3950    1.1387 H   0  0  0  0  0
    3.6803    3.3041    2.9074 H   0  0  0  0  0
    4.0435    5.0264    2.8908 H   0  0  0  0  0
    4.4712    3.0929    0.5454 H   0  0  0  0  0
    5.7076    3.6115    1.6865 H   0  0  0  0  0
    5.4078    5.9894    0.9465 H   0  0  0  0  0
    4.1585    5.4809   -0.1848 H   0  0  0  0  0
    6.1701    5.7831   -1.4226 H   0  0  0  0  0
    5.7984    4.0623   -1.4087 H   0  0  0  0  0
    7.5151    3.6921    0.3681 H   0  0  0  0  0
    7.8244    5.4283    0.4447 H   0  0  0  0  0
    8.5567    5.3853   -1.9579 H   0  0  0  0  0
    8.2487    3.6471   -2.0155 H   0  0  0  0  0
    9.9348    3.2838   -0.2030 H   0  0  0  0  0
   10.2114    5.0251   -0.1197 H   0  0  0  0  0
   11.0200    5.0280   -2.4831 H   0  0  0  0  0
   10.6572    3.3097   -2.6201 H   0  0  0  0  0
   13.0295    3.5734   -2.2736 H   0  0  0  0  0
   12.3211    2.7746   -0.8749 H   0  0  0  0  0
   12.3650    4.9516    0.3847 H   0  0  0  0  0
   13.0149    5.7644   -1.0410 H   0  0  0  0  0
   14.8006    5.2397    0.5805 H   0  0  0  0  0
   15.0659    4.3410   -0.9214 H   0  0  0  0  0
   13.7361    3.1097    1.4913 H   0  0  0  0  0
   14.4488    0.2582    0.8846 H   0  0  0  0  0
   16.9195    1.1661    2.4750 H   0  0  0  0  0
   16.9149    0.0277    1.1136 H   0  0  0  0  0
   18.4580   -0.4365    5.2244 H   0  0  0  0  0
   16.4589   -3.2131    4.0267 H   0  0  0  0  0
   14.6858    1.9460    3.2663 H   0  0  0  0  0
   13.9228    0.5380    3.1316 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 11 12  1  0  0  0
 11 45  1  0  0  0
 11 46  1  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 12 48  1  0  0  0
 13 14  1  0  0  0
 13 49  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 23  1  0  0  0
 16 17  1  0  0  0
 16 50  1  0  0  0
 17 18  1  0  0  0
 17 51  1  0  0  0
 17 52  1  0  0  0
 18 19  1  0  0  0
 19 22  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 53  1  0  0  0
 22 54  1  0  0  0
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 23 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL324358

>  <PubChem CID>
44342221

>  <Formula>
C15H33N2O5P

>  <Molecular Weight>
352.412000

>  <IUPAC Name>
[(2S)-2-amino-3-(dodecylamino)-3-oxopropyl] dihydrogen phosphate

>  <XlogP>
0.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCCCCCCCCCNC(=O)C(COP(=O)(O)O)N

>  <Isomeric SMILES>
CCCCCCCCCCCCNC(=O)[C@H](COP(=O)(O)O)N

>  <InChI Std. ID>
InChI=1S/C15H33N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-17-15(18)14(16)13-22-23(19,20)21/h14H,2-13,16H2,1H3,(H,17,18)(H2,19,20,21)/t14-/m0/s1

>  <InChI Key>
BDKXPSCUPFJXEP-AWEZNQCLSA-N

