Molecule Editor

Molecule ID: FYI-1015938 Edit

Molecule Structure InChIKey: JLDWJMGXOWPBDJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)CCCCCCCCC(=O)NCCCCCCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1015938
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
    5.8706    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0830    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2954    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7203    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9327    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9327    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1452    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3576    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5701    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7824    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9948    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2073    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4197    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6322    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6581    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4457    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2332    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0208    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0208    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  1  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015938-3D
FYIcenter.com

 55 54  0  0  0  0  0  0  0  0999 V2000
    4.4469    3.1017    0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2141    1.6216    0.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4377    1.0467    0.9369 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9849    0.8942   -0.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6669   -0.5979   -0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4410   -1.3436   -1.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9450   -1.1997   -1.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7294   -1.9382   -2.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2325   -1.7806   -2.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0034   -2.5262   -3.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5158   -2.4081   -3.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2246   -3.1671   -4.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6247   -3.7806   -5.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5965   -3.1238   -4.5618 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3871   -3.8206   -5.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7066   -2.9493   -6.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5350   -3.7291   -7.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8662   -2.8682   -9.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6942   -3.6481  -10.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0189   -2.7781  -11.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8081   -3.5307  -12.2040 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8344    3.5036    1.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1594    3.5878   -0.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4994    3.2950    0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5900   -0.7435   -1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9048   -1.0289    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1653   -0.9545   -2.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1639   -2.4045   -1.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2105   -1.5818   -0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2288   -0.1436   -1.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4569   -1.5485   -3.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4585   -2.9991   -2.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5025   -2.1709   -1.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5009   -0.7173   -2.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7161   -2.1374   -4.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7157   -3.5856   -3.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8221   -2.8203   -2.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8227   -1.3565   -3.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0552   -2.6036   -3.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8326   -4.7113   -5.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3101   -4.1588   -5.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2571   -2.0555   -6.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7772   -2.5970   -7.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9815   -4.6205   -8.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4641   -4.0784   -7.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4210   -1.9780   -8.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9370   -2.5209   -9.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1390   -4.5396  -10.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6224   -3.9967   -9.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5781   -1.8894  -10.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0938   -2.4394  -11.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6865   -3.8229  -11.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0563   -2.9233  -12.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
M  END
$$$$