Molecule FYI-1014024

A

Molecule Summary:

ID: FYI-1014024
Names:
InChIKey: XRQDFNLINLXZLB-CKIKVBCHSA-N
SMILES: CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](/N=C(N)\\N)C[C@H](C(=O)O)[C@H]1O

Received at FYIcenter.com on: 2025-02-18

Molecule ID: FYI-1014024 Edit

Molecule Structure InChIKey: XRQDFNLINLXZLB-CKIKVBCHSA-N

Molecule Structure SMILES String: CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](/N=C(N)\N)C[C@H](C(=O)O)[C@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014024
FYIcenter.com

 23 23  0  0  1  0  0  0  0  0999 V2000
    6.5526    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0478    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6152    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7826    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511    4.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    7.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792    4.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197    5.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9152    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4903    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 17  1  0  0  0  0
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  6 20  1  6  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014024-3D
FYIcenter.com

 51 51  0     1  0  0  0  0  0999 V2000
   -1.0324   -1.2145   -2.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0296   -0.6497   -0.1885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4694   -1.6329    1.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7747    1.2900   -1.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8371    0.2771    0.4626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3715    1.9821    0.8217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961    3.7988   -0.7477 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3135    4.1076    1.4266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4808   -0.3550    0.0570 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4790   -1.1384   -0.8054 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8535    1.0975   -0.2361 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9821   -0.6649   -0.2314 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7744   -0.3164   -0.7520 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3804    1.0797   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4055   -2.1254    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4463   -3.9307    1.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300   -2.1849   -1.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6595    1.1729   -0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 19  1  0  0  0  0
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 21 23  1  0  0  0  0
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 23 47  1  0  0  0  0
M  END
$$$$

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2025-03-12, 764👍, 0💬