Molecule Editor

Molecule ID: FYI-1017578 Edit

Molecule Structure InChIKey: OTKJDMGTUTTYMP-ROUUACIJSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1017578
FYIcenter.com

 21 20  0  0  1  0  0  0  0  0999 V2000
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   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  1  0  0  0  0
  8  7  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 15  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
 17 20  1  1  0  0  0
 16 21  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017578-3D
FYIcenter.com

 60 59  0  0  1  0  0  0  0  0999 V2000
   30.7937    4.2174   11.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3753    2.8504   11.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8608    2.7650   10.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4342    1.3917   10.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9167    1.3175   10.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4846   -0.0541    9.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9677   -0.1334    9.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5443   -1.5110    8.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0283   -1.5995    8.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6057   -2.9824    8.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0908   -3.0558    8.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6408   -4.4271    7.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1297   -4.4330    7.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6479   -5.7724    6.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1179   -5.9058    6.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4638   -5.0415    5.6250 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.5549   -3.6611    5.9766 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9760   -5.3773    5.3342 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7264   -6.7556    4.8605 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0534   -5.0942    6.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7174   -5.4894    6.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8799    4.2590   11.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.3295    4.4283   12.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.5036    5.0082   10.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.7077    2.0806   11.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.8814    2.6574   10.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.5349    3.5412   10.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.3612    2.9647   11.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7576    0.6142   11.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.9321    1.1903    9.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5942    2.0957    9.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4205    1.5201   11.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8095   -0.8312   10.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9795   -0.2558    8.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6400    0.6388    8.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4704    0.0712   10.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8786   -2.2841    9.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0346   -1.7121    7.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6952   -0.8333    8.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5346   -1.3877    9.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9295   -3.7488    9.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1026   -3.1958    7.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7733   -2.2814    7.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5951   -2.8412    9.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9049   -5.1996    8.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1647   -4.6697    6.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8915   -3.6299    6.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6099   -4.2102    8.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0189   -6.5773    7.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0858   -5.9395    5.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6985   -5.6596    7.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9041   -6.9626    6.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0275   -5.1666    4.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1177   -3.5419    6.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6400   -4.7153    4.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0300   -7.4338    5.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3020   -6.9246    4.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0260   -4.0292    6.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3513   -5.6556    7.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8260   -6.2241    5.5679 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  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  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 18  1  0  0  0  0
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 16 53  1  6  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 55  1  6  0  0  0
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 20 21  1  0  0  0  0
 20 58  1  0  0  0  0
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 21 60  1  0  0  0  0
M  END
$$$$