Molecule FYI-1006208

A

Molecule Summary:

ID: FYI-1006208
Names:
InChIKey: DIVIHDRGKAUJHM-JSQJYGDRSA-N
SMILES: CC(=O)NC(CSC3OC(n2cnc1c(N)ncnc12)[C@@H](O)C3O)C(=O)NCC(=O)NC(Cc4c[nH]cn4)C(=O)O

Received at FYIcenter.com on: 2023-12-02

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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
   13.4831    3.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
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 24 23  1  0  0  0  0
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 25 26  1  6  0  0  0
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 36 31  1  0  0  0  0
 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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    3.3546   -1.2308   -0.4735 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7596   -1.0203    2.5441 C   0  0  3  0  0  0  0  0  0  0  0  0
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    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
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    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
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M  END
$$$$

✍: FYIcenter.com

2023-12-10, 2252👍, 0💬