Molecule FYI-1007431

A

Molecule Summary:

ID: FYI-1007431
Names:
InChIKey: ALWSLTBGKQGBSS-GOYMMELRSA-N
SMILES: O=C(O)c4cccc(S(=O)(=O)NC[C@H]3OC(O)[C@H](NC(=O)c2cccc(c1ccccc1)c2)[C@@H](O)[C@@H]3O)c4

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

Molecule ID: FYI-1007431 Edit

Molecule Structure InChIKey: ALWSLTBGKQGBSS-GOYMMELRSA-N

Molecule Structure SMILES String: O=C(O)c4cccc(S(=O)(=O)NC[C@H]3OC(O)[C@H](NC(=O)c2cccc(c1ccccc1)c2)[C@@H](O)[C@@H]3O)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007431
FYIcenter.com

 38 41  0  0  1  0  0  0  0  0999 V2000
   13.3369    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  6  0  0  0
 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
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 18 19  1  1  0  0  0
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 21 20  2  0  0  0  0
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 24 23  1  0  0  0  0
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 33 22  1  0  0  0  0
 34 18  1  0  0  0  0
 34 35  1  6  0  0  0
 36 34  1  0  0  0  0
 36 14  1  0  0  0  0
 36 37  1  1  0  0  0
 38  8  2  0  0  0  0
 38  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007431-3D
FYIcenter.com

 64 67  0     1  0  0  0  0  0999 V2000
   -5.2647    0.7723   -2.2001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2112    1.2281   -0.3440 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5225    2.2221    2.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6383    2.0030   -2.8706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4498   -1.9939    2.5639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1852   -3.1292    1.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3528    0.5808    0.4171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7303    0.9702   -1.4892 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5051   -1.0238    0.1937 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.9187    0.4200    0.4895 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6591   -0.0797   -0.7166 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2045    1.3965   -0.4503 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.0407    1.4820    1.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5094    1.5463    1.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3043    0.6232   -0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
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  1 21  1  0  0  0  0
  2 16  1  0  0  0  0
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  3 13  1  0  0  0  0
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  6 19  2  0  0  0  0
  9 33  1  0  0  0  0
  9 64  1  0  0  0  0
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 38 63  1  0  0  0  0
M  END
$$$$

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2024-02-28, 206👍, 0💬