Molecule FYI-1004783

A

Molecule Summary:

ID: FYI-1004783
Names:
InChIKey: JPYSCTNQOYSJRQ-YHYVQYDKSA-N
SMILES: CC(C)CC[C@H](c1ccc(C(F)(F)F)nc1)N2CC[C@@H](CC(=O)O)C[C@H]2c3ccc(C(F)(F)F)cc3

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004783 Edit

Molecule Structure InChIKey: JPYSCTNQOYSJRQ-YHYVQYDKSA-N

Molecule Structure SMILES String: CC(C)CC[C@H](c1ccc(C(F)(F)F)nc1)N2CC[C@@H](CC(=O)O)C[C@H]2c3ccc(C(F)(F)F)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004783
FYIcenter.com

 36 38  0  0  1  0  0  0  0  0999 V2000
   12.1243    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    2.4248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
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 12  7  1  0  0  0  0
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  6 17  1  1  0  0  0
 18 17  1  0  0  0  0
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 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004783-3D
FYIcenter.com

 66 68  0     1  0  0  0  0  0999 V2000
   -4.3496   -4.8434   -1.1294 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-10-11, 2985👍, 0💬