Molecule FYI-1003361

A

Molecule Summary:

ID: FYI-1003361
Names:
InChIKey: YHQOIZYIMFAECD-UHFFFAOYSA-N
SMILES: CC(N)C(O)CCCCCCCCCCCCCCC(=O)CCCCCCCC(O)C(C)N

Received at FYIcenter.com on: 2023-06-06

Molecule ID: FYI-1003361 Edit

Molecule Structure InChIKey: YHQOIZYIMFAECD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(N)C(O)CCCCCCCCCCCCCCC(=O)CCCCCCCC(O)C(C)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1003361
FYIcenter.com

 33 32  0  0  0  0  0  0  0  0999 V2000
   32.7358    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   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
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    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
    2.4249    0.0000    0.0000 O   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
    1.2124    3.5000    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
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  4  2  1  0  0  0  0
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  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 13 12  1  0  0  0  0
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 15 14  1  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  2  0  0  0  0
 22 20  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  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003361-3D
FYIcenter.com

 91 90  0  0  1  0  0  0  0  0999 V2000
    1.0169   -0.0641    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -0.0994    0.0471 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0852    0.0255   -1.3184 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0602    1.0157    0.9829 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5496    0.8489    2.3137 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5843    1.0333    1.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0973    2.1329    1.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6126    2.1288    1.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1211    3.2258    2.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6362    3.2283    2.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1446    4.3260    3.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6609    4.3293    3.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1966    6.5291    5.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7134    6.5369    5.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2201    7.6368    6.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2741    8.7322    7.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7858    8.7187    7.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4336    7.6838    7.2056 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4884   10.0296    7.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1115   10.5812    8.9841 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8141   11.8994    9.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4144   12.4317   10.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1182   13.7476   10.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7148   14.2732   12.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0347   16.1306   13.8737 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.3720   15.1519   14.8735 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6873   17.5213   14.1343 C   0  0  3  0  0  0  0  0  0  0  0  0
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   22.1655   17.5158   14.0412 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-07-01, 1665👍, 0💬