Molecule FYI-1013007

A

Molecule Summary:

ID: FYI-1013007
Names:
InChIKey: QKOWXXDOHMJOMQ-UHFFFAOYSA-N
SMILES: O=C=NCCCCCCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O

Received at FYIcenter.com on: 2024-11-07

Molecule ID: FYI-1013007 Edit

Molecule Structure InChIKey: QKOWXXDOHMJOMQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C=NCCCCCCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013007
FYIcenter.com

 34 33  0  0  0  0  0  0  0  0999 V2000
   19.3990    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
   21.8238    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
   24.2488    1.4000    0.0000 N   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
   26.6736    2.8000    0.0000 O   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
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8499    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
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 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  2  0  0  0  0
 23 13  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
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 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013007-3D
FYIcenter.com

 72 71  0  0  0  0  0  0  0  0999 V2000
    6.6790    2.9508    2.8751 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7149    2.3990    2.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7338    1.8461    3.0889 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0816    1.0751    1.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4264    0.4032    2.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8717   -0.4198    0.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2308   -1.0833    1.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2073  -11.0760   -1.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 34  2  0  0  0  0
M  END
$$$$

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2024-11-23, 365👍, 0💬