Molecule FYI-1007422

A

Molecule Summary:

ID: FYI-1007422
Names:
InChIKey: CMHAMQNLCYBPRB-ZAYLURJQSA-N
SMILES: O=S(=O)(N[C@H]2C(O)O[C@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)[C@@H]2O)c4cccc(c3ccc(Cl)cc3)c4

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

Molecule ID: FYI-1007422 Edit

Molecule Structure InChIKey: CMHAMQNLCYBPRB-ZAYLURJQSA-N

Molecule Structure SMILES String: O=S(=O)(N[C@H]2C(O)O[C@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)[C@@H]2O)c4cccc(c3ccc(Cl)cc3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007422
FYIcenter.com

 39 42  0  0  1  0  0  0  0  0999 V2000
    7.9746    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   13.5244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.8000    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
 13 12  2  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
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 25  5  1  0  0  0  0
 25 26  1  1  0  0  0
 27  2  1  0  0  0  0
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 31 30  1  0  0  0  0
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 37 35  1  0  0  0  0
 38 37  2  0  0  0  0
 38 32  1  0  0  0  0
 39 31  2  0  0  0  0
 39 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007422-3D
FYIcenter.com

 62 65  0     1  0  0  0  0  0999 V2000
    3.8111   -0.3355   -2.5282 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.7592    0.7402    0.1982 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2753    3.7247    2.6349 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9522    2.7392    3.0561 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4773   -0.3744    0.7606 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1918    2.5517    0.5395 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0957    3.1672    1.6066 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9948    2.0902    2.2227 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7024    1.2675    1.1384 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0053    1.7502   -0.4778 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4596    0.0790    1.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 39  1  0  0  0  0
  4 10  2  0  0  0  0
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  5 13  2  0  0  0  0
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  5 24  1  0  0  0  0
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  6 20  1  0  0  0  0
  7 17  1  0  0  0  0
  7 48  1  0  0  0  0
  8 18  1  0  0  0  0
  8 49  1  0  0  0  0
  9 20  1  0  0  0  0
  9 51  1  0  0  0  0
 14 16  1  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2024-02-28, 192👍, 0💬