Molecule FYI-1014235

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A

Molecule Summary:

ID: FYI-1014235
Names:
InChIKey: PKVJISUKBKNJRJ-UHFFFAOYSA-N
SMILES: O=C(CCCCC(=O)NC1CCCCC1)NC2CCCCC2

Received at FYIcenter.com on: 2025-03-14

Molecule ID: FYI-1014235 Edit

Molecule Structure InChIKey: PKVJISUKBKNJRJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCCCC(=O)NC1CCCCC1)NC2CCCCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014235
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  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
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014235-3D
FYIcenter.com

 54 55  0     0  0  0  0  0  0999 V2000
    3.0088   -1.9882    0.2523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9995    1.9485    0.4393 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3341   -0.0862    0.3858 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3274    0.0444    0.3637 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6144   -0.7584    0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6087    0.7075    0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1040   -0.9874   -1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6497    0.0148    1.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1282    1.1102   -0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6257   -0.1661    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5487    0.3075   -1.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    1.3081    0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5847   -0.0924   -1.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0813   -1.3666    0.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5869    1.0532   -0.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6042   -0.9397   -0.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1273   -0.7680    0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    0.7290    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9447    0.1864    0.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9385   -0.2225    0.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878   -0.5137    0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5809    0.4798    0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4696   -1.7393    0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4551    1.6231    1.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533   -1.6824   -1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3218   -1.4633   -1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2484    0.2484    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5301   -0.6220    1.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3592    1.6603   -1.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5038    0.4431    1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9664    0.0781   -2.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6794    0.9551   -1.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2654    2.0261    0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8946    1.7729    1.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0229    0.2558   -2.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7180   -0.7107   -2.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5135    0.4670   -0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8316    2.0063   -1.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3208    0.9294    0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0549    0.8601   -0.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002    0.7952    1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9961   -0.9060    1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0475   -0.8212   -0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343   -1.1255   -0.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4936   -1.2040    1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    1.1428   -0.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4994    1.1202    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 18  2  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 45  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 46  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 12  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 13  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 15  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 15  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 16  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 22  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
M  END
$$$$

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2025-04-11, 184👍, 0💬