Molecule FYI-1007126

A

Molecule Summary:

ID: FYI-1007126
Names:
InChIKey: VEGXETMJINRLTH-BOZYPMBZSA-N
SMILES: CN[C@@H]3[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]1O[C@H](CN)CC[C@H]1N)[C@@H]2O)OC[C@]3(C)O

Received at FYIcenter.com on: 2024-02-02

Molecule ID: FYI-1007126 Edit

Molecule Structure InChIKey: VEGXETMJINRLTH-BOZYPMBZSA-N

Molecule Structure SMILES String: CN[C@@H]3[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]1O[C@H](CN)CC[C@H]1N)[C@@H]2O)OC[C@]3(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007126
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
    5.5497   12.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 29  1  1  0  0  0
 13 30  1  1  0  0  0
  2 31  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007126-3D
FYIcenter.com

 70 72  0     1  0  0  0  0  0999 V2000
   -0.7899   -0.5547    0.1988 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374   -0.1747    0.0996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6798    0.0576    1.4481 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -3.0784    2.0604 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4284   -4.1926   -0.3084 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5925   -3.7895   -0.4170 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-02-11, 349👍, 0💬