Molecule FYI-1002604

A

Molecule Summary:

ID: FYI-1002604
Names:
InChIKey: QGNLWYHWTPPAFK-UJOPOEGESA-N
SMILES: CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC(=O)CC(O)(CC(=O)O)C(=O)O)C1

Received at FYIcenter.com on: 2023-04-11

Molecule ID: FYI-1002604 Edit

Molecule Structure InChIKey: QGNLWYHWTPPAFK-UJOPOEGESA-N

Molecule Structure SMILES String: CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC(=O)CC(O)(CC(=O)O)C(=O)O)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002604
FYIcenter.com

 34 34  0  0  1  0  0  0  0  0999 V2000
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6994    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 20 21  1  6  0  0  0
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 33 22  2  0  0  0  0
 34 20  1  0  0  0  0
 34  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002604-3D
FYIcenter.com

 68 68  0  0  1  0  0  0  0  0999 V2000
    1.9251    0.3798    1.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3032   -0.2821    0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9711   -1.5118    0.5553 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3033   -1.3811    0.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0018   -0.4580    0.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8735   -2.1873    2.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5682   -3.1730    3.2843 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.0760   -1.5087    7.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0964   -4.6136    2.9587 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.5389   -4.6746    2.8420 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8473   -4.3677    4.1236 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3554   -3.1369    4.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-17, 1936👍, 0💬