Molecule Editor

Molecule ID: FYI-1016518 Edit

Molecule Structure InChIKey: IPZQNYYAYVRKKK-FXQIFTODSA-N

Molecule Structure SMILES String: C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016518
FYIcenter.com

 18 18  0  0  1  0  0  0  0  0999 V2000
    0.0000    4.3945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    4.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6857    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    6.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0807    2.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7033    4.3230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4733    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686    4.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5360    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1359    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6235    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0485    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2609    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4733    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2609    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3 17  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9 17  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  1  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  1  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016518-3D
FYIcenter.com

 37 37  0     1  0  0  0  0  0999 V2000
    0.3002   -0.0988   -1.5016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7265    1.5971    0.9198 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -0.6045    1.1829 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3050    0.5512   -0.3929 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7122   -0.5976    0.1853 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7933    0.0550    0.2776 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3814    1.6633    0.9766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3652   -0.9167    0.6401 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2876   -2.4380    0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2569   -2.8013   -0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655   -1.7704   -0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5893   -0.2744   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3107    0.6282    0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7657    0.7295    0.0494 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8909    0.6650   -0.4376 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8927    1.2168   -1.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7826    2.1817   -0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.2139    0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149   -0.5280    1.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -2.8634    1.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7203   -2.8224    0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -2.6877   -1.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6259   -3.8282   -0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8454   -1.5352   -1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1223   -2.1208    0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2797   -0.2281    0.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9209   -0.1316    1.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8402    0.3243   -1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4292    2.2021   -1.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4008    0.5393   -2.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9444    1.2995   -1.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3660    1.2762    1.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3642    1.7903    0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5934    2.6535   -0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8311    2.5222   -0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8396    2.5495    0.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0559   -0.8747    1.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3 18  1  0  0  0  0
  3 37  1  0  0  0  0
  4 18  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  6 27  1  0  0  0  0
  7 14  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$