Molecule Editor

Molecule ID: FYI-1004152 Edit

Molecule Structure InChIKey: MEJAFWXKUKMUIR-WIUYAKJJSA-N

Molecule Structure SMILES String: O=C(O)/C=C/C(=O)O.CC(C)OC(=O)[C@H](C)NP(=O)(CO[C@H](C)Cn2cnc1c(N)ncnc12)Oc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004152
FYIcenter.com

 41 42  0  0  1  0  0  0  0  0999 V2000
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   15.6166    8.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7591    6.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6590    5.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1801    4.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8014    4.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0800    3.5376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3156    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588    1.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4131   13.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6078   14.7993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1150   12.8885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9201   11.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0233   10.6402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3214   11.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798    4.1361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7228    2.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6504    1.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8934    0.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2090    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2814    0.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0384    2.2786    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 15 17  1  6  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  1  6  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
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 32 31  2  0  0  0  0
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 34 33  2  0  0  0  0
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 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 41 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004152-3D
FYIcenter.com

 74 75  0  0  1  0  0  0  0  0999 V2000
    2.5018   -0.3622    1.3896 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6366    0.0264    0.1448 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7149    0.5539   -0.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0540    0.6195   -0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7876    1.1473   -1.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2570    1.4841   -2.9393 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098    1.2265   -1.6771 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5362    4.4705    0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9316    5.4027   -0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3970    5.8058   -0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7764    4.7146   -1.8665 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5072    4.6541   -2.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7967    4.8605   -4.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1756    3.2229   -3.8756 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1599    2.2735   -5.3812 P   0  0  3  0  0  0  0  0  0  0  0  0
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    9.2714    2.4871   -5.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7354    3.7649   -5.5975 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6731    2.9194  -11.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$