Molecule FYI-1012471

A

Molecule Summary:

ID: FYI-1012471
Names:
InChIKey: DXPFXXIOIHWNCB-UHFFFAOYSA-N
SMILES: CC(=O)NC3C=C(N2CCN(CCCCNS(=O)(=O)CC1CCCCC1)CC2)C=CC3

Received at FYIcenter.com on: 2024-09-06

Molecule ID: FYI-1012471 Edit

Molecule Structure InChIKey: DXPFXXIOIHWNCB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NC3C=C(N2CCN(CCCCNS(=O)(=O)CC1CCCCC1)CC2)C=CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012471
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   19.3991    2.8000    0.0000 N   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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 O   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
   16.9742    2.8000    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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   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28  8  1  0  0  0  0
 29  7  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 31  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012471-3D
FYIcenter.com

 71 73  0  0  1  0  0  0  0  0999 V2000
    1.2367    3.7064   11.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-09-28, 883👍, 0💬