Molecule FYI-1012600

A

Molecule Summary:

ID: FYI-1012600
Names:
InChIKey: URXRHDYGPZFIDO-UHFFFAOYSA-N
SMILES: O=C2CCC(=O)NCCCCCCNC(=O)c1ccc(cc1)C(=O)NCCCCCCN2

Received at FYIcenter.com on: 2024-09-30

Molecule ID: FYI-1012600 Edit

Molecule Structure InChIKey: URXRHDYGPZFIDO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CCC(=O)NCCCCCCNC(=O)c1ccc(cc1)C(=O)NCCCCCCN2

Download SDF Download SVG Structure in 2D SDF:

FYI-1012600
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.2125   11.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   14.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.7993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6375   16.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   16.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   16.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0632    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2758    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247   16.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370   16.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4881    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1248   18.1983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 18 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 32  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012600-3D
FYIcenter.com

 68 69  0  0  0  0  0  0  0  0999 V2000
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    2.9349   10.2109   -2.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2988    9.6824   -3.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0828    9.3300   -6.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
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  4 36  1  0  0  0  0
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  8 39  1  0  0  0  0
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  9 40  1  0  0  0  0
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 31 32  1  0  0  0  0
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 31 67  1  0  0  0  0
 32 68  1  0  0  0  0
M  END
$$$$

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2024-10-14, 1081👍, 0💬