Molecule FYI-1002090

A

Molecule Summary:

ID: FYI-1002090
Names:
InChIKey: TYJPSIQEEXOQLC-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O

Received at FYIcenter.com on: 2023-01-27

Molecule ID: FYI-1002090 Edit

Molecule Structure InChIKey: TYJPSIQEEXOQLC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002090
FYIcenter.com

 47 47  0  0  0  0  0  0  0  0999 V2000
    3.6348    9.3692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9043    3.7731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.8716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6849    5.0111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2225    0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    7.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    7.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    3.0736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    5.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4812    5.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    5.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6927    5.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6306    1.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
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 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
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 15 35  1  0  0  0  0
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 18 43  1  0  0  0  0
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 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002090-3D
FYIcenter.com

 47 47  0     0  0  0  0  0  0999 V2000
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    2.6720   -0.5822    0.6256 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520   -0.9578   -1.6461 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0890    0.9692    0.6271 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5265    1.2301    0.0261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7871   -0.6980    1.0666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5881   -1.5395   -0.7337 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7922    0.7889    0.3099 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604   -2.8670   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -3.1551    0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946   -3.1153    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4808   -2.9047   -0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7347    2.8445   -0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2201    2.9311   -0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
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  9 25  1  0  0  0  0
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 14 20  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 34  1  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-02-05, 2653👍, 0💬