Molecule FYI-1005025

A

Molecule Summary:

ID: FYI-1005025
Names:
InChIKey: PTXWSEGQZMVZBS-SKHCUOGJSA-N
SMILES: CCCCC/C=C/C/C=C/CCCCCCCCC2(CCCCCCCC/C=C/C/C=C/CCCCC)OC1CC(CN(C)CC(NC(C)=O)C(=O)O)CC1O2

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

Molecule ID: FYI-1005025 Edit

Molecule Structure InChIKey: PTXWSEGQZMVZBS-SKHCUOGJSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1005025
FYIcenter.com

 56 57  0  0  0  0  0  0  0  0999 V2000
   23.1304   21.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1304   20.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9180   19.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9180   18.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7056   17.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7056   16.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4932   15.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4932   14.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2806   13.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2806   11.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0682   11.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0682    9.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8558    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6434    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   31.5909    1.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7027    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    1.4620    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
 16 15  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
 23 22  1  0  0  0  0
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 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
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 42 41  1  0  0  0  0
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 55 39  1  0  0  0  0
 56 55  1  0  0  0  0
 56 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005025-3D
FYIcenter.com

142143  0  0  1  0  0  0  0  0999 V2000
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M  END
$$$$

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2023-11-02, 398👍, 0💬