Molecule FYI-1012289

A

Molecule Summary:

ID: FYI-1012289
Names:
InChIKey: FJQWWGCHPFSERW-AWEZNQCLSA-N
SMILES: CCCC[C@@H](NC(=O)CCC(=O)O)P(=O)(O)Oc1ccccc1

Received at FYIcenter.com on: 2024-08-22

Molecule ID: FYI-1012289 Edit

Molecule Structure InChIKey: FJQWWGCHPFSERW-AWEZNQCLSA-N

Molecule Structure SMILES String: CCCC[C@@H](NC(=O)CCC(=O)O)P(=O)(O)Oc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1012289
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.9000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
 22 12  1  0  0  0  0
 12 19  2  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012289-3D
FYIcenter.com

 45 45  0  0  1  0  0  0  0  0999 V2000
    0.9266    0.3151   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4474    0.2495   -0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9369   -0.7358    0.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4539   -0.8592    1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9839   -1.8166    2.1246 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5187   -3.2195    1.8564 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6081   -4.2442    2.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1418   -4.0968    3.8485 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019   -5.5587    2.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7762   -6.4230    3.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0989   -7.7317    3.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7870   -8.0760    2.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858   -8.4895    4.3468 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8139   -1.8166    2.1246 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.7172   -0.2923    2.3014 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8854   -2.4463    3.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5439   -1.8166    2.1246 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3324   -0.8804    2.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9591   -0.1933    3.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7877    0.7917    4.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0191    1.0617    3.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4182    0.3477    2.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5757   -0.6220    2.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8392   -1.1876    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5904   -1.5144    3.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3343   -3.4708    0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6736   -6.0662    1.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0511   -5.3677    1.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1218   -2.9872    3.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0041   -0.3843    4.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8830   -1.1599    1.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 33  1  1  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 37  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 39  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 23  2  0  0  0  0
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 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
$$$$

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2024-09-12, 1298👍, 0💬