Molecule Editor

Molecule ID: FYI-1003256 Edit

Molecule Structure InChIKey: ZSYPGADQMCKYDM-LADVCJOISA-N

Molecule Structure SMILES String: CSc1ccccc1C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]4c3ccccc3C[C@H]4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003256
FYIcenter.com

 33 36  0  0  1  0  0  0  0  0999 V2000
   12.5048    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7172    0.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7172    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9296    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9296    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7172    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0799    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8675    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8019    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5019    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9118    0.0000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  6  0  0  0
 12 10  1  0  0  0  0
 13 12  1  6  0  0  0
 14 13  1  0  0  0  0
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 32 31  1  0  0  0  0
 32 24  1  0  0  0  0
 32 33  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003256-3D
FYIcenter.com

 64 67  0     1  0  0  0  0  0999 V2000
    4.2315    1.1894   -2.3439 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6371   -1.3437   -0.4391 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834    1.2936    1.8408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4997    0.8929   -2.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.3274   -0.1456 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2370   -1.5876   -0.8185 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0119   -4.1991    1.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$