Molecule Editor

Molecule ID: FYI-1016555 Edit

Molecule Structure InChIKey: MHIRBQXEYHDSIM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCCNC(=O)CCCCNC(=O)CCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016555
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
    9.0707    1.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3171    2.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5237    1.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6374    2.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7071    1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6361    2.4266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5880    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5855    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6394    2.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5413    1.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6635    2.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8784    1.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1034    2.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0591    3.4719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4123    1.5758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    0.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6630    1.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3561    1.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3142    1.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2297    1.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1871    0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1926    1.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3584    3.3714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8473    2.8887    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  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  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 16 17  1  0  0  0  0
  1 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016555-3D
FYIcenter.com

 55 54  0  0  0  0  0  0  0  0999 V2000
    8.1106  -11.4325    4.4471 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7612  -10.7376    5.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3694  -11.2536    6.3113 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9829   -9.2531    5.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2839   -8.7030    3.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5058   -7.1997    3.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8128   -6.6644    2.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9978   -5.1575    2.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3941   -4.7874    2.1218 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8430   -3.5539    2.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1165   -2.6948    3.0234 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3288   -3.3205    2.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606   -4.3443    3.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6631   -4.1152    2.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4470   -5.1748    3.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8756   -5.0144    3.5567 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5613   -5.6391    2.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0186   -6.3246    1.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0619   -5.4274    2.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7198   -5.9361    3.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4918   -7.4364    4.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1342   -7.9316    5.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8553   -9.4002    5.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8696   -9.8338    6.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7878  -10.2043    4.9827 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622  -10.5991    6.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0582   -9.0683    4.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893   -8.7501    5.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2079   -8.9121    3.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6592   -9.2258    2.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5829   -7.0006    3.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224   -6.6727    4.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7385   -6.8799    2.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2001   -7.1843    1.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5441   -4.6285    3.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4982   -4.8155    1.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0125   -5.3840    1.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5609   -2.3082    2.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8911   -4.3049    4.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9346   -3.1160    3.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9332   -4.1525    1.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2283   -5.1111    4.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3708   -4.4272    4.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2625   -4.3583    2.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3400   -5.3810    4.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7967   -5.7350    3.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8925   -7.9938    3.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4168   -7.6517    4.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7286   -7.3989    6.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2160   -7.7543    5.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5097   -9.7295    4.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  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 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 55  1  0  0  0  0
M  END
$$$$