Molecule FYI-1005770

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A

Molecule Summary:

ID: FYI-1005770
Names:
InChIKey: AXYLICNYBKSEIY-UHFFFAOYSA-N
SMILES: CCCCCCNC(=O)CCCCC(=O)NCCCCCCN

Received at FYIcenter.com on: 2023-11-13

Molecule ID: FYI-1005770 Edit

Molecule Structure InChIKey: AXYLICNYBKSEIY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCNC(=O)CCCCC(=O)NCCCCCCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1005770
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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 N   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  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
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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 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
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005770-3D
FYIcenter.com

 60 59  0  0  0  0  0  0  0  0999 V2000
    3.9992   -3.7879   -0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3081   -3.0227   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6631   -2.3409   -1.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9784   -1.5707   -1.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3377   -0.8822   -2.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -0.1211   -2.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0054    0.5581   -3.8463 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6029    1.8499   -4.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917    2.4982   -3.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0862    2.4185   -5.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6098    2.4649   -5.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1046    3.0533   -6.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6313    3.0837   -6.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2580    1.7127   -6.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0140    1.4279   -5.8394 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9168    0.8267   -7.7585 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0654   -1.5591   -7.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0758   -2.0565   -8.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6731   -2.1178   -9.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7238   -2.5994  -11.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3787   -2.6479  -11.5750 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7609   -4.2690    0.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2236   -2.2735    0.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8574   -1.6548   -1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7437   -3.0954   -2.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7835   -2.2587   -1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8987   -0.8193   -0.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5346   -0.1938   -3.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4197   -1.6266   -3.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4737   -0.8088   -2.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5885    0.6152   -1.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5579    0.0573   -4.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6767    3.4302   -5.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6712    1.8132   -6.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0122    1.4522   -5.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0012    3.0569   -4.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7284    4.0786   -6.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6939    2.4756   -7.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0350    3.7124   -6.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9568    3.5258   -7.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2504    1.0997   -8.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4019   -0.5527   -7.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5159   -0.8552   -8.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4098   -1.1432   -5.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9236   -2.4760   -6.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5804   -0.5771   -7.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4649   -2.2379   -6.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5474   -3.0459   -9.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6716   -1.3873   -9.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2179   -1.1201   -9.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0498   -2.7891   -8.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1810   -3.5936  -11.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3349   -1.9192  -11.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8136   -3.3068  -11.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4163   -3.0127  -12.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
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  7 37  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  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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 17 47  1  0  0  0  0
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 18 50  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 60  1  0  0  0  0
M  END
$$$$

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2023-11-18, 2467👍, 0💬