Molecule FYI-1009095

A

Molecule Summary:

ID: FYI-1009095
Names:
InChIKey: VIUQMMWXPUGVKT-UHFFFAOYSA-N
SMILES: CCCCN1C(=O)C2CCC3C(=O)N(CCC)C(=O)C4CCC(C1=O)C2C34

Received at FYIcenter.com on: 2024-04-30

Molecule ID: FYI-1009095 Edit

Molecule Structure InChIKey: VIUQMMWXPUGVKT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCN1C(=O)C2CCC3C(=O)N(CCC)C(=O)C4CCC(C1=O)C2C34

Download SDF Download SVG Structure in 2D SDF:

FYI-1009095
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    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  3  1  0  0  0  0
  5  4  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 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24  5  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 26  8  1  0  0  0  0
 27 26  1  0  0  0  0
 27 11  1  0  0  0  0
 27 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009095-3D
FYIcenter.com

 57 60  0  0  1  0  0  0  0  0999 V2000
    6.3870    2.5676   -1.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3440    1.5519   -0.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9805    1.5605   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    0.4348    0.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7231    0.5090    2.0345 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9492   -0.7402    2.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0523   -1.2605    2.7318 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070   -1.2391    3.3467 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6942   -2.6927    3.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -2.9490    4.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2382   -2.2252    5.7407 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8855   -2.4763    6.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002   -3.4709    6.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5271   -1.4900    7.3325 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3711   -1.3698    8.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870   -2.2747    9.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6482   -1.8780   10.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3802   -0.3209    6.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3153    0.0616    6.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7170    0.3394    6.3001 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6070    1.6903    5.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9610    2.1023    5.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2708    1.1066    3.9228 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3983    1.5091    2.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9457    2.6058    2.9867 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794   -0.2733    4.5250 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7015   -0.7214    5.7132 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.1125    3.5648   -1.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6923    2.2877   -2.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1266    1.7827   -0.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5574    0.5554   -1.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984    1.4243   -0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7969    2.5317    0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9838   -0.5344    0.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7962    0.4524    1.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1607   -2.0383    9.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340    0.6321    7.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2635    2.4458    6.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8502    1.6704    4.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 37  1  0  0  0  0
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 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1398👍, 0💬