Molecule Editor

Molecule ID: FYI-1012123 Edit

Molecule Structure InChIKey: GBJVAVGBSGRRKN-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)OC)C(=O)CF)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1012123
FYIcenter.com

 47 47  0  0  0  0  0  0  0  0999 V2000
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  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
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 14  8  1  0  0  0  0
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 18  4  1  0  0  0  0
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 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
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 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  0  0  0  0
 47 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012123-3D
FYIcenter.com

 88 88  0  0  1  0  0  0  0  0999 V2000
    1.1484   -0.7365   -2.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -0.7517   -2.2664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391   -0.8091   -0.9587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1791   -0.8347   -0.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4479   -0.7919   -0.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0817   -2.0092   -1.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6238   -2.0636   -1.4149 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0576   -2.0399   -0.0116 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2693   -1.5140    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0020   -0.8960   -0.3815 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5939   -1.6875    1.8959 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1060   -1.7552    2.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6775   -2.9205    1.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0052   -3.7830    0.8299 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0361   -2.8821    1.3743 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1458    0.2378    5.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5973    0.8388    6.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8481    1.8622    7.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1663    2.3246    8.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2401    1.7707    9.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1142   -3.3474   -2.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$