Molecule Editor

Molecule ID: FYI-1016102 Edit

Molecule Structure InChIKey: OADWKAZYUBKTOK-FIFLTTCUSA-N

Molecule Structure SMILES String: CCC/C=C/CCCC(=O)NCCNC(=O)CCC/C=C/CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016102
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
    8.8059    3.9610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8932    2.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9747    1.6746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2637    2.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5462    1.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8116    2.2587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9164    1.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9722    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0832    2.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7284    1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1875    1.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3468    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4565    1.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6988    1.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9776    1.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2404    1.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4121    1.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    2.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5276    1.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2476    2.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0616    1.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1620    2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1636    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2544    0.0000 C   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
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016102-3D
FYIcenter.com

 60 59  0  0  0  0  0  0  0  0999 V2000
   14.8666    1.0633   -3.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8125    0.2968   -2.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4544   -0.5845   -1.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4171   -1.3418   -0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2540   -1.2254    0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2219   -1.9832    1.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -1.0245    2.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1886   -1.7639    3.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8054   -2.5941    4.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4810   -2.0936    5.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5911   -3.9454    4.1172 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1097   -4.8872    5.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6447   -4.9467    5.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1622   -5.8848    6.1002 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9436   -7.2360    5.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2158   -7.7208    5.1193 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6511   -8.0721    7.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9300   -9.4857    6.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8639   -9.4832    5.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1193  -10.8776    4.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3393  -11.4289    4.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
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  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
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M  END
$$$$