Molecule FYI-1006506

A

Molecule Summary:

ID: FYI-1006506
Names:
InChIKey: LVZZIYWPSBOITI-ZYNFKGNASA-M
SMILES: CC(C)c2c(CC/C(O)=C/[C@@H](O)CC(=O)[O-])c(c1ccc(F)cc1)cn2C(C)C

Received at FYIcenter.com on: 2023-12-29

Molecule ID: FYI-1006506 Edit

Molecule Structure InChIKey: LVZZIYWPSBOITI-ZYNFKGNASA-M

Molecule Structure SMILES String: CC(C)c2c(CC/C(O)=C/[C@@H](O)CC(=O)[O-])c(c1ccc(F)cc1)cn2C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006506
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
   11.9977    8.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7617    7.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5521    5.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2366    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1641    5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4605    5.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3372    4.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8160    5.6795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1618    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  2  0  0  0  0
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 13 11  1  0  0  0  0
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 26  4  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006506-3D
FYIcenter.com

 58 59  0  0  1  0  0  0  0  0999 V2000
    1.1227    0.8971   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970    0.0553   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4187    0.6162   -1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9680   -0.1644    1.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6098    2.2574    1.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5502    1.2387    7.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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