
 CHEMBL2172341

 60 60  0  0  0  0  0  0  0  0999 V2000
    0.9126    1.7766    0.3929 C   0  0  0  0  0
    2.3926    1.8960    0.7193 C   0  0  0  0  0
    2.9255    3.2942    0.4067 C   0  0  0  0  0
    4.4186    3.4008    0.7206 C   0  0  0  0  0
    4.9490    4.8087    0.4451 C   0  0  0  0  0
    6.4435    4.9062    0.7514 C   0  0  0  0  0
    6.9727    6.3135    0.5040 C   0  0  0  0  0
    8.4351    6.3942    0.8534 C   0  0  0  0  0
    8.8650    6.7898    1.9267 O   0  0  0  0  0
    9.1960    5.9433   -0.1800 O   0  0  0  0  0
   10.6217    5.9009    0.0557 C   0  0  0  0  0
   11.2153    4.8985   -0.9496 C   0  0  0  0  0
   12.5867    4.5502   -0.6436 N   0  0  0  0  0
   13.0654    3.3602   -0.1714 C   0  0  0  0  0
   14.2472    3.2553    0.1417 O   0  0  0  0  0
   12.1163    2.3676   -0.1167 O   0  0  0  0  0
   12.7191    1.1429    0.2220 N   0  0  0  0  0
   11.8830    0.1520    0.1944 C   0  0  0  0  0
   12.4528   -1.2409    0.3853 C   0  0  0  0  0
   11.5634   -2.0903    1.2790 C   0  0  0  0  0
   10.1148   -2.0741    0.8013 C   0  0  0  0  0
    9.5770   -0.6462    0.7627 C   0  0  0  0  0
   10.4080    0.2543   -0.1464 C   0  0  0  0  0
   11.2276    7.3075   -0.1122 C   0  0  0  0  0
   12.6541    7.2606   -0.0382 O   0  0  0  0  0
   13.2309    8.5594   -0.0894 C   0  0  0  0  0
    0.5502    0.7736    0.6389 H   0  0  0  0  0
    0.7310    1.9514   -0.6724 H   0  0  0  0  0
    0.3242    2.5005    0.9656 H   0  0  0  0  0
    2.9492    1.1469    0.1442 H   0  0  0  0  0
    2.5456    1.6693    1.7809 H   0  0  0  0  0
    2.3714    4.0372    0.9931 H   0  0  0  0  0
    2.7555    3.5257   -0.6518 H   0  0  0  0  0
    4.9731    2.6736    0.1149 H   0  0  0  0  0
    4.5921    3.1440    1.7728 H   0  0  0  0  0
    4.3999    5.5337    1.0582 H   0  0  0  0  0
    4.7710    5.0717   -0.6047 H   0  0  0  0  0
    6.9955    4.1885    0.1316 H   0  0  0  0  0
    6.6279    4.6225    1.7953 H   0  0  0  0  0
    6.4375    7.0473    1.1178 H   0  0  0  0  0
    6.8349    6.6184   -0.5397 H   0  0  0  0  0
   10.8250    5.5235    1.0669 H   0  0  0  0  0
   11.2046    5.3249   -1.9594 H   0  0  0  0  0
   10.5956    3.9962   -0.9869 H   0  0  0  0  0
   13.2633    5.3078   -0.5997 H   0  0  0  0  0
   13.4598   -1.1756    0.8118 H   0  0  0  0  0
   12.5409   -1.6977   -0.6074 H   0  0  0  0  0
   11.9362   -3.1207    1.2940 H   0  0  0  0  0
   11.6104   -1.7154    2.3088 H   0  0  0  0  0
   10.0458   -2.5251   -0.1963 H   0  0  0  0  0
    9.4996   -2.6825    1.4735 H   0  0  0  0  0
    8.5366   -0.6547    0.4187 H   0  0  0  0  0
    9.5750   -0.2362    1.7806 H   0  0  0  0  0
   10.2883   -0.0484   -1.1925 H   0  0  0  0  0
   10.0448    1.2813   -0.0512 H   0  0  0  0  0
   10.8416    7.9752    0.6665 H   0  0  0  0  0
   10.9266    7.7295   -1.0792 H   0  0  0  0  0
   14.3188    8.4524   -0.0638 H   0  0  0  0  0
   12.9174    9.1504    0.7762 H   0  0  0  0  0
   12.9510    9.0676   -1.0170 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 11 24  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 12 44  1  0  0  0
 13 14  1  0  0  0
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 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
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 20 21  1  0  0  0
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 21 22  1  0  0  0
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 24 25  1  0  0  0
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 25 26  1  0  0  0
 26 58  1  0  0  0
 26 59  1  0  0  0
 26 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2172341

>  <PubChem CID>
71457083

>  <Formula>
C19H34N2O5

>  <Molecular Weight>
370.490000

>  <IUPAC Name>
[1-[(cyclohexylideneamino)oxycarbonylamino]-3-methoxypropan-2-yl] octanoate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCCCCC(=O)OC(CNC(=O)ON=C1CCCCC1)COC

>  <Isomeric SMILES>
CCCCCCCC(=O)OC(CNC(=O)ON=C1CCCCC1)COC

>  <InChI Std. ID>
InChI=1S/C19H34N2O5/c1-3-4-5-6-10-13-18(22)25-17(15-24-2)14-20-19(23)26-21-16-11-8-7-9-12-16/h17H,3-15H2,1-2H3,(H,20,23)

>  <InChI Key>
BYPGDUUSQQVZCJ-UHFFFAOYSA-N

