Molecule FYI-1005520

A

Molecule Summary:

ID: FYI-1005520
Names:
InChIKey: VULHQROEEQATNE-ZDUSSCGKSA-N
SMILES: C[C@@H](C(N)=O)n4c(=O)c3ccc(NC(=O)Cc1cccc2ccccc12)cc3c4=O

Received at FYIcenter.com on: 2023-11-01

Molecule ID: FYI-1005520 Edit

Molecule Structure InChIKey: VULHQROEEQATNE-ZDUSSCGKSA-N

Molecule Structure SMILES String: C[C@@H](C(N)=O)n4c(=O)c3ccc(NC(=O)Cc1cccc2ccccc12)cc3c4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005520
FYIcenter.com

 30 33  0  0  1  0  0  0  0  0999 V2000
   15.3539    2.2876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9539    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    1.0751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9539    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4636    5.9641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4636    1.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   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
    6.0623    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  4  6  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  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
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 25  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 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005520-3D
FYIcenter.com

 49 52  0  0  1  0  0  0  0  0999 V2000
    3.6326   -0.5018   -0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    0.1458   -0.0823 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5196   -0.9013    0.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8316   -1.3221    1.8433 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6094   -1.4654   -0.0254 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8407    1.1892    0.8577 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    1.0019    1.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2258   -0.0216    2.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7960    2.2816    2.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4965    2.6063    3.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4066    3.9276    4.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581    4.9042    3.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6454    6.2624    3.8537 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5727    6.8421    4.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5340    6.2624    5.2199 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3663    8.3211    4.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0997    9.2551    4.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2816    8.8223    3.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9454    9.6303    2.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4706   10.9071    2.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3420   11.4023    2.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9108   12.7109    2.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7976   13.2425    3.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1051   12.4705    4.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5222   11.1647    4.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6418   10.5875    3.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9215    4.5235    2.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0178    3.1998    1.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6822    3.0175   -0.0325 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9363    4.1734    5.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7082    7.8414    3.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0004   11.5216    1.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4470   13.3327    1.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4785   14.2586    3.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2383   12.8822    4.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9548   10.6115    5.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3192    5.2201    1.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 34  1  6  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 16  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
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 24 25  2  0  0  0  0
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 25 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 1864👍, 0💬