Molecule FYI-1004261

A

Molecule Summary:

ID: FYI-1004261
Names:
InChIKey: PEGRGVWESMESQM-UHFFFAOYSA-N
SMILES: O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1)c2ccccc2)NC3CCCCC3

Received at FYIcenter.com on: 2023-08-24

Molecule ID: FYI-1004261 Edit

Molecule Structure InChIKey: PEGRGVWESMESQM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1)c2ccccc2)NC3CCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004261
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
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 26 25  2  0  0  0  0
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 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004261-3D
FYIcenter.com

 57 59  0  0  0  0  0  0  0  0999 V2000
    4.0661    0.2671    1.4290 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3242   -0.7098    1.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8239   -1.1629   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9757   -2.3753   -0.1956 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3 32  1  0  0  0  0
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 25 30  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
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 30 57  1  0  0  0  0
M  END
$$$$

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2023-09-16, 440👍, 0💬