Molecule Editor

Molecule ID: FYI-1016194 Edit

Molecule Structure InChIKey: DATAGRPVKZEWHA-YFKPBYRVSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016194
FYIcenter.com

 12 11  0  0  1  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   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
    3.6373    2.1000    0.0000 C   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
    2.4249    0.0000    0.0000 N   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
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  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
 12  4  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016194-3D
FYIcenter.com

 26 25  0     1  0  0  0  0  0999 V2000
   -1.9675   -1.2196    0.3554 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380    1.8110   -0.3931 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2894    0.5191    1.3121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5201    0.9348   -0.3144 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0743   -1.6915   -0.3202 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7650   -0.8902   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005   -0.5470   -0.5902 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2156    0.2576   -0.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6468   -0.1177   -0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7446    0.6161    0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9395    0.8453   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3223   -0.5178    0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7301   -1.1553    0.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4288   -1.7779   -0.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2638   -0.3053   -1.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1834    0.5550   -1.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483    1.1288    0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1585    1.8119   -0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551   -2.4958   -0.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9947   -1.9654    0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1984    1.6338    0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4571    1.0529   -1.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1464   -1.3272   -0.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8813   -0.7321    1.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4067   -0.5198    0.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    2.5595    0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  1  0  0  0  0
  2 26  1  0  0  0  0
  3 10  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
M  END
$$$$