Molecule Editor

Molecule ID: FYI-1006208 Edit

Molecule Structure InChIKey: DIVIHDRGKAUJHM-JSQJYGDRSA-N

Molecule Structure SMILES String: CC(=O)NC(CSC3OC(n2cnc1c(N)ncnc12)[C@@H](O)C3O)C(=O)NCC(=O)NC(Cc4c[nH]cn4)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006208
FYIcenter.com

 41 44  0  0  1  0  0  0  0  0999 V2000
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    6.0621    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    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
    9.6995    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6157    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    2.5710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8526    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7727    8.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2053   10.2185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0727   11.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401   10.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610   10.7880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5147   12.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6473   13.0032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9264   12.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0590   13.2566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  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  1  0  0  0  0
 13 12  2  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17  5  2  0  0  0  0
 18  2  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 25 26  1  6  0  0  0
 27 25  1  0  0  0  0
 27 22  1  0  0  0  0
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 29 28  1  0  0  0  0
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 37 36  1  0  0  0  0
 38 18  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006208-3D
FYIcenter.com

 69 72  0  0  1  0  0  0  0  0999 V2000
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    3.1575    1.0427   -0.6106 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3546   -1.2308   -0.4735 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205   -1.2333   -0.4837 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4232   -1.0615    0.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2402   -0.8236    0.8042 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7596   -1.0203    2.5441 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2998    0.0536    3.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3580    0.3586    4.3166 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8073    0.3430    5.6539 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8259    1.3831    6.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3079    1.0406    7.7059 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9423   -0.2852    7.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3782   -1.2227    8.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782   -0.9431    9.7624 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1163   -2.4660    7.9729 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4449   -2.7570    6.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0120   -1.9533    5.7712 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2187   -0.7239    6.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5454   -0.5973    4.0659 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6141   -6.7657   -4.3277 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.0567   -6.4930   -6.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$