Molecule Editor

Molecule ID: FYI-1016131 Edit

Molecule Structure InChIKey: ALDJHTRBRIWFBH-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCCC(=O)NCCCCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016131
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
    4.8847    1.0814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1567    0.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3350    1.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3965    0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6942    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7945    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7913    0.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9645    0.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1516    2.3359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4437    3.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1171    3.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1910    5.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8514    4.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7352    5.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4220    5.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5753    6.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101    5.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2863    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    5.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3019    6.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207    8.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4240    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  1  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
 17 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
 20 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016131-3D
FYIcenter.com

 56 55  0  0  0  0  0  0  0  0999 V2000
    1.5598   -3.0705   -2.7626 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8093   -3.6138   -2.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8589   -2.5109   -2.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1775   -3.0580   -1.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2360   -1.9560   -1.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5698   -2.4726   -0.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1610   -3.5738   -1.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3923   -4.6923   -1.3635 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4012   -3.2144   -3.1161 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8957   -4.1641   -4.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4207   -4.1934   -4.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9506   -5.2265   -5.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4897   -4.9317   -6.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0109   -5.9654   -7.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5034   -5.6417   -8.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0056   -6.6694   -9.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5089   -6.3484  -11.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0287   -7.3883  -12.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5629   -7.1140  -13.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0987   -8.1642  -14.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8054   -9.1081  -14.3680 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7074   -7.9539  -15.9629 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0300   -2.0688   -3.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5255   -3.8645   -2.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0164   -3.4958   -0.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8774   -1.1611   -0.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3738   -1.4987   -2.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4379   -2.8614    0.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972   -1.6549   -0.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2490   -2.2580   -3.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4775   -3.8534   -5.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5025   -5.1596   -3.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8128   -4.4283   -3.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8067   -3.1994   -4.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6186   -6.2281   -4.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0467   -5.2297   -5.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8235   -3.9294   -6.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3962   -4.9384   -6.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6673   -6.9640   -7.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1067   -5.9777   -7.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8397   -4.6396   -9.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4062   -5.6275   -8.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6627   -7.6686   -9.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1022   -6.6872   -9.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6916   -8.3852  -12.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255   -7.4031  -12.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9229   -6.1328  -14.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4686   -7.1296  -13.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1465   -7.1663  -16.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  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
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 39  1  0  0  0  0
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 15 16  1  0  0  0  0
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 22 56  1  0  0  0  0
M  END
$$$$