Molecule Editor

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
    7.2898    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    4.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    5.6117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2898    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5048    1.4029    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    8.5048    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6449    4.2088    0.0000 C   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
    4.4561    1.2574    0.7000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9476    1.1922   -0.6839 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5925    0.0488   -1.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8618   -0.8840   -1.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0992   -0.0177   -2.9684 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6192   -0.0177   -2.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1258   -1.2242   -2.1950 C   0  3  0  0  0  0  0  0  0  0  0  0
      -nan      -nan      -nan O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3642   -1.2798   -5.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8876   -3.7572   -4.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0721   -4.6024   -5.3786 C   0  3  0  0  0  0  0  0  0  0  0  0
      -nan      -nan      -nan O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9361    1.2587    0.6983 C   0  3  0  0  0  0  0  0  0  0  0  0
      -nan      -nan      -nan O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$