Molecule FYI-1007118

A

Molecule Summary:

ID: FYI-1007118
Names:
InChIKey: PNESRVUIHCTLFR-UHFFFAOYSA-N
SMILES: C=CC(=O)NCCC(=O)NCC1(F)CN(C(=O)OC(C)(C)C)C1

Received at FYIcenter.com on: 2024-02-01

Molecule ID: FYI-1007118 Edit

Molecule Structure InChIKey: PNESRVUIHCTLFR-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)NCCC(=O)NCC1(F)CN(C(=O)OC(C)(C)C)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007118
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.9124    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    1.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6751    2.2376    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    3.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    5.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6265    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8391    3.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0515    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0515    5.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2121    3.4523    0.0000 C   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  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
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 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 10  1  0  0  0  0
 23  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007118-3D
FYIcenter.com

 47 47  0     0  0  0  0  0  0999 V2000
    0.6138    0.3687    1.6725 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9857   -0.0679    0.3738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923    0.5077   -1.6161 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4744   -3.1378   -0.8179 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9985    1.8430    0.1614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7607   -0.3549    0.1170 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2314   -1.5505    0.8620 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4255    0.6176   -1.0327 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0295   -0.6957    1.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4084   -0.4460   -0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598   -0.8975    1.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9081   -1.9164    1.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9199    0.0663   -0.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2533    0.3460   -0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176   -2.1980   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5666   -0.4927   -1.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1727    1.8303   -0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2981    0.1090    0.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2933   -1.5931   -0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2937   -0.4631   -1.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8592    1.6907   -0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687    2.6675   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0039    3.7667    0.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9780    3.9931    1.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
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  2 14  1  0  0  0  0
  3 13  2  0  0  0  0
  4 15  2  0  0  0  0
  5 21  2  0  0  0  0
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  8 20  1  0  0  0  0
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 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$

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2024-02-11, 795👍, 0💬