Molecule Editor

Molecule ID: FYI-1014280 Edit

Molecule Structure InChIKey: YWBHCYRCVYEOPE-WXFUMESZSA-N

Molecule Structure SMILES String: CCCC[C@@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014280
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
   10.0800    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0800    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0800    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    1.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5048    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4426    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5048    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7173    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7173    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9297    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9297    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6551    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9297    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7173    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
  6 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 10 22  2  0  0  0  0
  6 22  1  0  0  0  0
 23 12  1  6  0  0  0
 23 24  1  0  0  0  0
 16 25  2  0  0  0  0
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 26 27  2  0  0  0  0
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 11 29  1  0  0  0  0
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  5 30  1  0  0  0  0
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 17 31  2  0  0  0  0
 17 32  1  0  0  0  0
 24 33  2  0  0  0  0
 24 34  1  0  0  0  0
 11 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014280-3D
FYIcenter.com

 68 70  0  0  1  0  0  0  0  0999 V2000
    0.7134   -4.5304    1.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1906   -3.1031    1.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0663    3.8555    1.5116 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.7471    4.3139   -3.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$