Molecule Editor

Molecule ID: FYI-1014901 Edit

Molecule Structure InChIKey: HWEZEMYRSACYJY-DEOSSOPVSA-N

Molecule Structure SMILES String: NC(=O)CC[C@H](NC(=O)N3CCc1c(cccc1c2ccc(C(F)(F)F)cc2)C3)c4ccccc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014901
FYIcenter.com

 35 38  0  0  1  0  0  0  0  0999 V2000
   18.1866    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   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
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.6876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.1124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    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
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014901-3D
FYIcenter.com

 61 64  0     1  0  0  0  0  0999 V2000
   -8.3897    1.6093    0.2986 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0309    0.4992    2.1332 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1281    2.4518    1.8566 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935    0.5568    1.8535 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4263   -1.6713    2.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0842   -0.6568    0.3610 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3909   -0.3169   -0.0236 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9817   -3.4367    2.1835 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7100    0.1868    0.2859 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2962   -0.0893    0.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$