Molecule FYI-1007428

A

Molecule Summary:

ID: FYI-1007428
Names:
InChIKey: UPUUSXGZDJAZHZ-ZAYLURJQSA-N
SMILES: O=S(=O)(NC[C@H]3OC(O)[C@H](NS(=O)(=O)c2cccc(c1ccccc1)c2)[C@@H](O)[C@@H]3O)c4cccc(Cl)c4Cl

Received at FYIcenter.com on: 2024-02-22

Molecule ID: FYI-1007428 Edit

Molecule Structure InChIKey: UPUUSXGZDJAZHZ-ZAYLURJQSA-N

Molecule Structure SMILES String: O=S(=O)(NC[C@H]3OC(O)[C@H](NS(=O)(=O)c2cccc(c1ccccc1)c2)[C@@H](O)[C@@H]3O)c4cccc(Cl)c4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007428
FYIcenter.com

 38 41  0  0  1  0  0  0  0  0999 V2000
    9.1870    8.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    8.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    8.4001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    9.1001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  6  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
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 22 21  1  0  0  0  0
 23  9  1  0  0  0  0
 23 24  1  6  0  0  0
 25 23  1  0  0  0  0
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 25 26  1  1  0  0  0
 27  2  1  0  0  0  0
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 37 36  2  0  0  0  0
 37 32  1  0  0  0  0
 38 31  2  0  0  0  0
 38 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007428-3D
FYIcenter.com

 62 65  0     1  0  0  0  0  0999 V2000
    3.6432   -0.1279   -2.5927 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.6232   -1.3266   -0.8393 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4233    0.4152    0.6242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3409    2.4555    0.2842 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4690    3.3683    1.2037 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5760    2.5695    1.8995 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3863    1.7447    0.8913 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5717    1.6799   -0.6670 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3740    0.8075    1.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  2  0  0  0  0
  3 10  2  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  4 11  2  0  0  0  0
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  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 16  1  0  0  0  0
  6 47  1  0  0  0  0
  7 17  1  0  0  0  0
  7 48  1  0  0  0  0
  8 19  1  0  0  0  0
  8 50  1  0  0  0  0
 13 15  1  0  0  0  0
 13 46  1  0  0  0  0
 14 20  1  0  0  0  0
 14 49  1  0  0  0  0
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 38 62  1  0  0  0  0
M  END
$$$$

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2024-02-28, 197👍, 0💬