Molecule FYI-1009096

A

Molecule Summary:

ID: FYI-1009096
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-1009096 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-1009096
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
 20 18  1  0  0  0  0
 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-1009096-3D
FYIcenter.com

 57 60  0  0  1  0  0  0  0  0999 V2000
    5.1425    3.4991   -1.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5983    2.1524   -1.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0950    1.0575   -0.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5064   -0.3000   -1.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9420   -0.8462   -2.5422 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179   -1.7386   -3.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0175   -5.1714   -1.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2252   -6.0013   -2.0930 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4314   -7.2553   -1.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5262   -7.7653   -0.5612 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7264   -7.7233   -1.2311 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2106   -8.2483   -2.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8100   -6.7084    0.5303 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388   -5.6257   -1.6320 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7630   -4.5435   -1.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7864   -3.3393   -2.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3990   -2.7289   -1.9466 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2582   -1.3206   -2.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8105    3.7366   -0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9149    1.9472   -2.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5021    2.1822   -1.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7957    1.2999    0.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1896    1.0152   -0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4732   -6.0831   -2.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7632   -5.5032   -3.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
  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
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 12  1  0  0  0  0
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 18 20  1  0  0  0  0
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 22 23  1  0  0  0  0
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 23 24  1  0  0  0  0
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 23 55  1  0  0  0  0
 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, 1982👍, 0💬