Molecule FYI-1009508

A

Molecule Summary:

ID: FYI-1009508
Names:
InChIKey: OOYRZCXWMLQPFC-AYOQOUSVSA-N
SMILES: CC[C@@H](C)[C@@H](C)[C@@H](C)C[n+]3c1cc(C)c(C)cc1nc2c([O-])cc(C)cc23

Received at FYIcenter.com on: 2024-05-13

Molecule ID: FYI-1009508 Edit

Molecule Structure InChIKey: OOYRZCXWMLQPFC-AYOQOUSVSA-N

Molecule Structure SMILES String: CC[C@@H](C)[C@@H](C)[C@@H](C)C[n+]3c1cc(C)c(C)cc1nc2c([O-])cc(C)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009508
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8498    6.3004    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5003    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    4.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    0.0000    0.0000 C   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
  4  5  1  0  0  0  0
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  8  9  1  0  0  0  0
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  6  7  1  0  0  0  0
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 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
  9 17  1  0  0  0  0
  8 18  1  0  0  0  0
  1 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
 20 23  1  1  0  0  0
 21 24  1  6  0  0  0
 22 25  1  1  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009508-3D
FYIcenter.com

 59 61  0  0  1  0  0  0  0  0999 V2000
    5.3751   -1.4328   -6.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6657   -2.2116   -5.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082   -2.2150   -4.1905 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2125   -2.7986   -4.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9044   -2.9441   -2.8508 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2022   -4.4189   -3.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782   -2.2228   -2.0817 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6884   -0.7694   -1.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5868   -2.8685   -0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1799   -4.2380   -0.8876 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.5409   -5.3130   -0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4855   -5.1903    0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6550   -6.2696    0.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4372   -6.0037    1.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9645   -7.5394    0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1511   -8.7658    0.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877   -7.6806   -0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8655   -6.5968   -0.7695 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8485   -6.7932   -1.6370 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5714   -5.7608   -2.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5912   -5.9829   -3.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9126   -7.1321   -3.5436 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.2699   -4.8400   -3.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0199   -3.5404   -3.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2688   -4.4354   -1.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2914   -1.3383   -7.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0124   -0.4259   -6.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6369   -1.9438   -7.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5536   -1.7566   -4.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9394   -3.2362   -5.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2738   -1.1697   -3.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2767   -3.8705   -4.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9444   -2.3213   -5.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8800   -2.3396   -1.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
  3 33  1  1  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 37  1  1  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
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 18 19  1  0  0  0  0
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 21 22  1  0  0  0  0
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M  END
$$$$

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2024-05-16, 1558👍, 0💬