Molecule FYI-1011995

A

Molecule Summary:

ID: FYI-1011995
Names:
InChIKey: HMTCEHUWHRDKLP-UHFFFAOYSA-N
SMILES: O=C2CCCCC(=O)NCCCCNC(=O)c1ccc(cc1)C(=O)NCCCCCN2

Received at FYIcenter.com on: 2024-08-14

Molecule ID: FYI-1011995 Edit

Molecule Structure InChIKey: HMTCEHUWHRDKLP-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CCCCC(=O)NCCCCNC(=O)c1ccc(cc1)C(=O)NCCCCCN2

Download SDF Download SVG Structure in 2D SDF:

FYI-1011995
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   13.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0694    6.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0767    7.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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
 10 18  1  0  0  0  0
 18 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  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011995-3D
FYIcenter.com

 65 66  0  0  0  0  0  0  0  0999 V2000
    6.1978   -2.1327   -2.8235 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0430   -1.9962   -1.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3802   -2.8328   -1.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5987   -4.1367   -2.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4425    4.6357    1.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4701    4.0681    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3031    2.9848   -0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3220    5.5555    1.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
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  6 39  1  0  0  0  0
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  9 10  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
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 11 12  1  0  0  0  0
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 30 64  1  0  0  0  0
 31 65  1  0  0  0  0
M  END
$$$$

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2024-10-14, 1076👍, 0💬