Molecule FYI-1002113

A

Molecule Summary:

ID: FYI-1002113
Names:
InChIKey: MAFMWDUVARHFTL-UHFFFAOYSA-O
SMILES: CC(C)CC(NC(=O)C(C[C+](=O)=O)NC(=O)C([NH3+])CC[C+](=O)=O)[C+](=O)=O

Received at FYIcenter.com on: 2023-01-31

Molecule ID: FYI-1002113 Edit

Molecule Structure InChIKey: MAFMWDUVARHFTL-UHFFFAOYSA-O

Molecule Structure SMILES String: CC(C)CC(NC(=O)C(C[C+](=O)=O)NC(=O)C([NH3+])CC[C+](=O)=O)[C+](=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002113
FYIcenter.com

 49 48  0  0  0  0  0  0  0  0999 V2000
    9.7197    7.7161    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7197    6.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5048    5.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2898    6.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9347    5.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    6.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    7.7161    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
   13.3646    8.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9347    8.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5048    4.2088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5048    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002113-3D
FYIcenter.com

 49 48  0  0  1  0  0  0  0  0999 V2000
    6.9879    1.3224    2.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4810    0.0496    1.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9858   -1.1570    2.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9610    0.0508    1.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
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      -nan      -nan      -nan O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0721   -4.6024   -5.3786 C   0  3  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-07-11, 2481👍, 0💬