Molecule FYI-1005027

A

Molecule Summary:

ID: FYI-1005027
Names:
InChIKey: LTNWABFDAJFVQP-GCLFPMOOSA-N
SMILES: CCCCC/C=C/C/C=C/CCCCCCCCC2(CCCCCCCC/C=C/C/C=C/CCCCC)OC1CC(CN(C)CC(=O)OCC)CC1O2

Received at FYIcenter.com on: 2023-10-09

Molecule ID: FYI-1005027 Edit

Molecule Structure InChIKey: LTNWABFDAJFVQP-GCLFPMOOSA-N

Molecule Structure SMILES String: CCCCC/C=C/C/C=C/CCCCCCCCC2(CCCCCCCC/C=C/C/C=C/CCCCC)OC1CC(CN(C)CC(=O)OCC)CC1O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005027
FYIcenter.com

 53 54  0  0  0  0  0  0  0  0999 V2000
   34.0425   19.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8299   20.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6175   19.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4051   20.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1927   19.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9802   20.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7678   19.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5554   20.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3430   19.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1304   20.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8559   20.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746   16.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   17.2909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   18.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248   16.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   17.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660   16.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0722   18.0529    0.0000 O   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  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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  1  0  0  0  0
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 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
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 19  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 43  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  0  0  0  0
 48 46  1  0  0  0  0
 49 48  1  0  0  0  0
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 51 41  1  0  0  0  0
 52 51  1  0  0  0  0
 52 39  1  0  0  0  0
 53 52  1  0  0  0  0
 53 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005027-3D
FYIcenter.com

138139  0  0  1  0  0  0  0  0999 V2000
    1.5447    3.1420    3.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590    2.8077    2.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4889    3.8524    1.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3794    6.4219   -0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7320    7.6286   -2.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-02, 344👍, 0💬