Molecule FYI-1003161

A

Molecule Summary:

ID: FYI-1003161
Names:
InChIKey: HMIPJFIMZVFARP-DUJSEXMISA-N
SMILES: O=C(O)CCC[C@H]1[C@@H]3CCCN4CCC[C@H](CN1C(=O)c2cccc(CON(=O)=O)c2)C34.O=C(O)CCC[C@H]1[C@@H]3CCCN4CCC[C@H](CN1C(=O)c2cccc(CON(=O)=O)c2)[C@H]34

Received at FYIcenter.com on: 2023-05-17

Molecule ID: FYI-1003161 Edit

Molecule Structure InChIKey: HMIPJFIMZVFARP-DUJSEXMISA-N

Molecule Structure SMILES String: O=C(O)CCC[C@H]1[C@@H]3CCCN4CCC[C@H](CN1C(=O)c2cccc(CON(=O)=O)c2)C34.O=C(O)CCC[C@H]1[C@@H]3CCCN4CCC[C@H](CN1C(=O)c2cccc(CON(=O)=O)c2)[C@H]34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003161
FYIcenter.com

 64 70  0  0  1  0  0  0  0  0999 V2000
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    3.4604    7.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897    5.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9293    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    2.2786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    8.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    7.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430   10.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.2467    9.7980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2467   11.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0343   11.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8219   11.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8219    9.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6093    9.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3969    9.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3969   11.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1845   11.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1845   13.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3969   13.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9721   13.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6093    7.6980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3969    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1845    7.6980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3969    5.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1845    4.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1845    3.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6093    3.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8219    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0343    3.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.4591    3.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6093    4.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8219    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0343    9.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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  1 14  1  0  0  0  0
  6  2  1  1  0  0  0
  2 24  1  0  0  0  0
  3 27  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
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 13 12  1  0  0  0  0
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  3 31  1  0  0  0  0
 16 14  1  0  0  0  0
  4 15  2  0  0  0  0
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 63 33  1  0  0  0  0
 64 41  1  0  0  0  0
 64 37  1  6  0  0  0
 64 33  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-06-12, 749👍, 0💬