Molecule FYI-1006283

A

Molecule Summary:

ID: FYI-1006283
Names:
InChIKey: KOPIYCJOIBQNAV-UHFFFAOYSA-N
SMILES: O=C4CCC(N3Cc2cc(CNC(=O)C(=O)c1ccccc1)ccc2C3=O)C(=O)N4

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006283 Edit

Molecule Structure InChIKey: KOPIYCJOIBQNAV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4CCC(N3Cc2cc(CNC(=O)C(=O)c1ccccc1)ccc2C3=O)C(=O)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006283
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.8499    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3218    4.8457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    6.4157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906    6.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0829    7.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4829    7.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1829    8.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4829   10.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1829   11.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0829   10.0531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    8.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9829    8.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23  2  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 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-1006283-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
   -2.7182    0.6809    2.8165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1478   -2.1905   -0.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4797   -1.8318   -1.5925 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2356    0.7404   -2.4502 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1023    0.5599   -1.4806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9802    0.4755    0.4770 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3040   -1.9637   -0.8438 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596    1.9714   -0.4756 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2908   -0.1182    0.4206 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1890    0.7887   -0.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2516    0.7494   -0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9529    1.3679   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0444    1.3786    1.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3409    0.8082    1.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6110    0.0735   -0.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1590   -1.4993   -0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1778    1.8540   -0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5182   -1.3103   -1.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0363    1.8634    2.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    2.3509    0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    2.3556    1.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4506    2.8839   -0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8304    1.0023   -1.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0222    0.1700   -1.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8669   -1.0464   -0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037   -1.4240    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9840   -1.8160    0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4575   -2.5710    1.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5745   -3.3404    1.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1529    2.0417    0.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7114   -0.8513   -0.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9769   -1.5396   -0.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4739   -2.8653    1.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7075   -3.5623    1.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4607   -4.2336    1.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 16  2  0  0  0  0
  3 18  2  0  0  0  0
  4 23  2  0  0  0  0
  5 24  2  0  0  0  0
  6  9  1  0  0  0  0
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  7 39  1  0  0  0  0
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  9 31  1  0  0  0  0
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 10 32  1  0  0  0  0
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 11 35  1  0  0  0  0
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 17 20  2  0  0  0  0
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 19 40  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  2  0  0  0  0
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 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  END
$$$$

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2023-12-14, 1489👍, 0💬