Molecule FYI-1007427

A

Molecule Summary:

ID: FYI-1007427
Names:
InChIKey: QYROCIZAUONYDT-UDOUVNBHSA-N
SMILES: Cc3ccc(S(=O)(=O)NC[C@H]2OC(O)[C@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)[C@@H](O)[C@@H]2O)cc3

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

Molecule ID: FYI-1007427 Edit

Molecule Structure InChIKey: QYROCIZAUONYDT-UDOUVNBHSA-N

Molecule Structure SMILES String: Cc3ccc(S(=O)(=O)NC[C@H]2OC(O)[C@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)[C@@H](O)[C@@H]2O)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007427
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
   20.6115    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.4617    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0617    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.6000    0.0000 N   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
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    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  9  6  1  0  0  0  0
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 33  5  1  0  0  0  0
 34 33  2  0  0  0  0
 34  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007427-3D
FYIcenter.com

 58 60  0     1  0  0  0  0  0999 V2000
   10.1923   -2.3162    0.5208 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.0113    0.8004    0.2309 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.8359    1.5493    1.1815 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692    0.2935    0.6320 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4007    0.1664   -2.9936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1917    1.4106   -2.8229 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1063    1.9349    0.9513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1246    2.6166    0.2426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1178    1.7239    2.5935 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9410    0.3391   -0.5414 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1174    0.7774   -1.8101 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -6.7130    0.1080    0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2447   -0.0787   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0616   -0.0450   -0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-02-28, 184👍, 0💬