Molecule Editor

Molecule ID: FYI-1006279 Edit

Molecule Structure InChIKey: DLELKZFCVLJXKZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(=O)oc3cc(NC(=O)C(CCC/N=C(N)/N)NC(=O)C(CCC/N=C(N)\N)NC(=O)OCc1ccccc1)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006279
FYIcenter.com

 45 47  0  0  0  0  0  0  0  0999 V2000
   13.3368   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   17.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  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  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
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 19 18  1  0  0  0  0
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 24 16  1  0  0  0  0
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 28 27  1  0  0  0  0
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 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 32  1  0  0  0  0
 35 27  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 45 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006279-3D
FYIcenter.com

 84 86  0  0  1  0  0  0  0  0999 V2000
   -0.5033   -2.5174    2.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678   -1.2192    1.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8574   -0.8792    0.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1030    0.3731    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2119    0.6283   -0.4308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0234    1.2214   -0.1228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2399    0.8982    0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2408    1.8537    0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5297    1.6541    0.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5883    2.5937    0.5178 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4774    3.8457   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535    4.3014   -0.6021 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810    4.6874   -0.1310 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6121    4.2886   -1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9364    5.0471   -1.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9280    4.7731   -0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0080    5.5693    0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0168    4.8631    1.4624 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0824    6.3793    0.2140 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3606    6.0895   -0.2155 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5877   10.5977    1.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8487   12.5500    2.5076 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$