Molecule FYI-1004567

A

Molecule Summary:

ID: FYI-1004567
Names:
InChIKey: NWQVIHVAKGUWQO-UHFFFAOYSA-O
SMILES: NS(=O)(=O)c1ccccc1CNC(=O)c3cccc(C2CCC([NH3+])C2)c3

Received at FYIcenter.com on: 2023-09-13

Molecule ID: FYI-1004567 Edit

Molecule Structure InChIKey: NWQVIHVAKGUWQO-UHFFFAOYSA-O

Molecule Structure SMILES String: NS(=O)(=O)c1ccccc1CNC(=O)c3cccc(C2CCC([NH3+])C2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004567
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
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    2.4948    5.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7422    5.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8155    7.2441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004567-3D
FYIcenter.com

 50 52  0  0  1  0  0  0  0  0999 V2000
    1.9482    2.7696    0.8383 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9102    1.8066   -0.1472 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7609    0.4609    0.3823 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5502    2.1223   -1.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671    2.3764    0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9743    3.4166   -0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2075    4.0415   -0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0365    3.6500    0.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6725    2.5753    1.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4636    1.8617    1.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2987    0.6426    2.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1268   -1.9516    2.9340 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8533   -8.0431    3.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3714   -7.9888    3.5274 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 26 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 923👍, 0💬