Molecule FYI-1006783

A

Molecule Summary:

ID: FYI-1006783
Names:
InChIKey: FKECTEOJUWKREV-ABZVBJSCSA-N
SMILES: CC(C)(O)/C=C/c3ccc(C(=O)N2CC[C@@](Cc1ccccc1)(C(=O)O)[C@@H](O)C2)cc3

Received at FYIcenter.com on: 2024-01-16

Molecule ID: FYI-1006783 Edit

Molecule Structure InChIKey: FKECTEOJUWKREV-ABZVBJSCSA-N

Molecule Structure SMILES String: CC(C)(O)/C=C/c3ccc(C(=O)N2CC[C@@](Cc1ccccc1)(C(=O)O)[C@@H](O)C2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006783
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
    4.8641    3.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641    1.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6480    1.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321    1.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160    1.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9181    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5140    2.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    1.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2961    1.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2961    3.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7280    3.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2961    7.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0800    4.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0401    7.0462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 29 14  1  0  0  0  0
 30 11  1  0  0  0  0
 30  1  2  0  0  0  0
 16 31  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006783-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
   11.9633   -2.5306    3.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7986   -1.9731    2.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2669   -1.4456    0.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8656   -3.0336    2.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1141   -0.8473    2.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8129   -0.8046    3.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1416    0.3597    3.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5660    1.6732    3.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9122    2.7526    4.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7940    2.5396    5.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2674    3.7162    5.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3222    4.8226    5.3088 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8419    3.5714    7.1772 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438    2.2950    7.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7541    2.3936    9.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8046    3.4411    9.7886 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9713    3.3693   11.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3680    2.0104   11.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9062    0.1237   12.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0430   -0.5173   12.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-01-24, 1647👍, 0💬