Molecule Editor

Molecule ID: FYI-1015589 Edit

Molecule Structure InChIKey: ODKSFYDXXFIFQN-SCSAIBSYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015589
FYIcenter.com

 12 11  0  0  1  0  0  0  0  0999 V2000
    2.0645    8.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2975    7.6060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6498    7.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8410    6.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    4.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6175    3.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2028    2.4144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941    1.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0645    9.9154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4645    8.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  6  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  2  0  0  0  0
  1 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015589-3D
FYIcenter.com

 26 25  0     1  0  0  0  0  0999 V2000
    3.4571   -0.1075    1.4468 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4871    1.6621    0.4097 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8861   -0.1271   -1.8595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9733    0.2203    0.0808 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8454    1.5109   -0.3683 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2002   -0.6766    0.1646 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7664   -0.6094   -0.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0811   -1.0106    0.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2952   -0.5508   -0.5924 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4360   -1.0907    0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7440    0.4657    0.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2622    0.3136   -0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3898    0.3703   -1.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4946   -1.3292   -1.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621   -1.9855    0.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3273   -0.2869    1.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6821   -1.5417   -0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6920   -1.8375   -0.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8506   -1.4171    1.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6095   -0.7716   -2.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -0.1846   -1.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7340    0.5508    2.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828    2.3369   -0.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8512    1.6050   -0.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1902   -0.4868    0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9432   -1.6236    0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 22  1  0  0  0  0
  2 11  2  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  2  0  0  0  0
  5 12  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$