Molecule Editor

Molecule ID: FYI-1016119 Edit

Molecule Structure InChIKey: JDJNALBOSKWPJH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC(=O)OC(=O)CCCCC(=O)NCCCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016119
FYIcenter.com

 25 25  0  0  0  0  0  0  0  0999 V2000
    1.0803    1.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966    2.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9585    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9278    2.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8443    1.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7977    2.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8332    3.6780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6016    1.7640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5948    2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309    1.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5195    2.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4827    1.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5235    2.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5135    1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8357    1.9778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0552    1.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2313    2.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5121    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4976    1.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6516    2.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8144    1.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0684    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9587    3.4837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3084    1.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016119-3D
FYIcenter.com

 55 55  0  0  0  0  0  0  0  0999 V2000
    3.3910    5.2279    2.6014 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193    4.3130    2.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5789    4.5530    3.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4412    5.8344    3.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0917    7.0736    4.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3521    7.9543    4.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5512    8.6471    6.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5267    9.3865    6.2035 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5963    8.5455    6.9395 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3362    7.3934    7.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3019    7.3304    8.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1830    6.1305    7.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7156    6.1630    7.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2778    5.3417    6.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7326    5.6597    5.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6114    4.8461    4.8694 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8403    4.9841    4.9420 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1908    3.9701    3.9132 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8758    3.7315    3.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7457    2.5390    2.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2520    2.4608    2.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3557    1.4115    1.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9994    2.0594    1.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5343    1.8366    1.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8137    3.0306    2.2758 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5415    4.0192    4.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835    4.0312    2.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8056    6.1653    2.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3303    5.4125    4.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5776    6.7681    5.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3886    7.6936    3.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3846    8.7585    3.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2766    7.3890    4.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7396    5.5236    6.6432 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9674    5.5823    8.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1178    5.6982    8.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1048    7.1820    7.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7118    5.5758    5.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1397    4.2766    6.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2735    5.6748    6.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7763    6.6903    5.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9705    3.6552    3.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5289    4.6639    2.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2410    3.5430    4.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382    1.6166    2.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2764    2.7520    1.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0157    3.4285    1.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8618    2.4795    3.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4577    0.4161    1.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5594    1.3696    0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877    3.0072    1.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0360    2.1355    2.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1918    0.9291    2.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2092    1.7963    0.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8273    3.0457    2.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
M  END
$$$$