Molecule Editor

Molecule ID: FYI-1007164 Edit

Molecule Structure InChIKey: GVVDBIRNZXNSAV-CINRXGFDSA-N

Molecule Structure SMILES String: CC(O)[C@@H](N)C(=O)N[C@@H](C(=O)NC(C)C(=O)N[C@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)O)C(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007164
FYIcenter.com

 44 44  0  0  1  0  0  0  0  0999 V2000
    0.0000    2.1288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    2.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285    2.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285    0.7203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    2.8087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8570    2.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712    2.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712    4.2173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2854    2.1288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4996    2.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7139    2.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7139    0.7203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9281    2.8087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2142    4.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4357    4.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6565    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4995    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4278    0.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2153    0.0288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9974    4.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2099    4.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4223    4.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4223    6.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2099    7.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6347    7.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8424    2.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  6 28  1  1  0  0  0
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 37 42  1  0  0  0  0
 37 38  2  0  0  0  0
 40 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007164-3D
FYIcenter.com

 84 84  0  0  1  0  0  0  0  0999 V2000
   -2.1698    2.5555   -5.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6001    1.1352   -5.5868 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4131    0.9105   -6.9896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8867    0.0331   -4.7648 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.1878    0.7985   -5.7985 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957   -1.0043   -4.4080 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$