Molecule FYI-1005456

A

Molecule Summary:

ID: FYI-1005456
Names:
InChIKey: BHZMEZUGBXLPOY-WXPBMIAQSA-N
SMILES: CCOC(=O)C1CCCC[C@@H]1N3CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC3

Received at FYIcenter.com on: 2023-10-29

Molecule ID: FYI-1005456 Edit

Molecule Structure InChIKey: BHZMEZUGBXLPOY-WXPBMIAQSA-N

Molecule Structure SMILES String: CCOC(=O)C1CCCC[C@@H]1N3CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005456
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   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
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 18  1  0  0  0  0
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 28 29  2  0  0  0  0
 29 34  1  0  0  0  0
 31 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005456-3D
FYIcenter.com

 71 73  0  0  1  0  0  0  0  0999 V2000
    5.1288   -7.4039   -2.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0191   -6.3775   -1.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4822   -4.6551   -2.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-06, 1118👍, 0💬