Molecule FYI-1007421

A

Molecule Summary:

ID: FYI-1007421
Names:
InChIKey: CVQFRAYLNRYJHG-HBVMVRLTSA-N
SMILES: O=C(N[C@H]2C(O)O[C@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)[C@@H]2O)c3ccc(Cl)s3

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

Molecule ID: FYI-1007421 Edit

Molecule Structure InChIKey: CVQFRAYLNRYJHG-HBVMVRLTSA-N

Molecule Structure SMILES String: O=C(N[C@H]2C(O)O[C@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)[C@@H]2O)c3ccc(Cl)s3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007421
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
   12.1244    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    1.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    0.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9449    1.3588    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.6158    2.2529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007421-3D
FYIcenter.com

 48 50  0     1  0  0  0  0  0999 V2000
   -4.5427    2.3887   -1.3024 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2026    3.5336    1.1868 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7720    1.5319   -0.2988 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2971   -0.7836   -1.6754 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8703    1.8253    0.2573 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0547    0.1443   -0.5689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1401   -1.8978    2.2692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4086   -2.9368    1.4194 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3502    0.0833   -0.8268 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1165   -0.8937    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 48  1  0  0  0  0
M  END
$$$$

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2024-02-28, 1388👍, 0💬