Molecule Editor

Molecule ID: FYI-1016225 Edit

Molecule Structure InChIKey: FIOHTMQGSFVHEZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(NC(C)C(=O)O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016225
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016225-3D
FYIcenter.com

 22 21  0     1  0  0  0  0  0999 V2000
    2.0988    1.6952   -0.1396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1254    1.6798    0.0804 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9218    0.1871    1.5364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9543    0.1069   -1.5354 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168   -1.2270    0.0059 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0296   -0.4227   -0.6258 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0138   -0.3997    0.6330 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0472   -1.3096   -1.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042   -1.2725    1.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7234    0.4960    0.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7400    0.4665   -0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5881    0.2146   -1.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.2711    1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4110   -1.8597   -0.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5538   -1.9751   -0.6184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735   -1.9275   -2.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8217   -0.7044   -1.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5242   -1.9638    0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5017   -1.8622    2.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7699   -0.6588    1.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5365    2.2568    0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5842    2.2063   -0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 21  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
$$$$