Molecule FYI-1001997

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Molecule Summary:

ID: FYI-1001997
SMILES: CCCCCCCCCCCOC(=O)CCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCO

Received at FYIcenter.com on: 2023-01-13

Molecule ID: FYI-1001997 Edit

Molecule Structure SMILES String: CCCCCCCCCCCOC(=O)CCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1001997
FYIcenter.com

 50 49  0  0  0  0  0  0  0  0999 V2000
   43.6476    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4351    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2227    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0103    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7979    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3730    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    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
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    4.9000    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  2  0  0  0  0
 15 13  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
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 31  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 20  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001997-3D
FYIcenter.com

137136  0  0  0  0  0  0  0  0999 V2000
   10.6721    5.0872  -33.7068 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7562    4.7593  -32.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2447    4.9135  -31.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3474    4.5802  -30.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8770    4.7190  -28.8205 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0305    4.3675  -27.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6405    4.4786  -26.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8180    4.1112  -25.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3558    4.2045  -24.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4223    3.9189  -22.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8020    4.1172  -21.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7413    3.8150  -20.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9732    4.8863  -19.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3602    5.9755  -20.1502 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5765    4.5155  -18.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7965    5.6572  -17.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7144    4.1682  -15.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2844    5.2097  -14.5790 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9445    4.9782  -13.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4645    6.0782  -12.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0122    7.7273   -5.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5003    9.0301   -4.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5564    8.7477   -3.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-02-05, 2548👍, 0💬