Molecule Editor

Molecule ID: FYI-1016157 Edit

Molecule Structure InChIKey: PIGOPELHGLPKLL-YFKPBYRVSA-N

Molecule Structure SMILES String: N[C@@H](Cn1cccn1)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016157
FYIcenter.com

 11 11  0  0  1  0  0  0  0  0999 V2000
    4.8498    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.2834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016157-3D
FYIcenter.com

 20 20  0     1  0  0  0  0  0999 V2000
   -0.9827   -1.4489   -1.1098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4312   -1.2581    0.6328 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9715    0.5425    0.2746 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6821    1.4326   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2656   -0.5917    0.9140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2987    1.2086    0.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396    0.7442   -0.3553 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9129    0.9714   -0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7014   -0.7403   -0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9193    0.0393   -0.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -0.8995    0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1243    2.2861    0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5242    1.0170    1.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2174    0.9565   -1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8026    1.8738   -1.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5544    2.4381   -0.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8876    1.2873    0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8453    0.0399   -1.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9609   -1.7953    0.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1261   -2.4148   -1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$