Molecule Editor

Molecule ID: FYI-1016187 Edit

Molecule Structure InChIKey: AMDDRMIFTJHJGD-RITPCOANSA-M

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016187
FYIcenter.com

 13 12  0  0  1  0  0  0  0  0999 V2000
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  5  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
    0.0000    1.4000    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
  4  6  1  6  0  0  0
  7  6  1  1  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016187-3D
FYIcenter.com

 27 26  0     1  0  0  0  0  0999 V2000
    0.9378    1.1707   -1.6780 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8021    2.3301    0.2852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9209    0.2164    0.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8850   -1.6354   -0.7788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310   -0.6786   -0.0986 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8184   -0.0524    0.3410 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9927   -0.9997    0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.1555    0.2453 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3395   -0.3482    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8568    1.2839   -0.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6139    0.3711    1.7519 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.2711    0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8257   -0.5422   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305    0.1330    1.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8718   -1.9147    0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9995   -1.3058   -0.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4033   -0.8418   -1.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5647    1.1156   -0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4637    0.5838   -0.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3775   -0.0927    1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4592   -0.5655    2.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8826    1.1065    2.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5908    0.7528    2.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4514   -0.7905    0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5105   -1.5133   -0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4343   -2.2066    0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7484   -0.2188   -0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3 13  1  0  0  0  0
  3 27  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$