Molecule Editor

Molecule ID: FYI-1003552 Edit

Molecule Structure InChIKey: GIBQQARAXHVEGD-BSOLPCOYSA-N

Molecule Structure SMILES String: C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)[C@@H](C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003552
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    8.8894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3199    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9276    1.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5351    2.2653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5734    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1811    3.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3964    4.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7964    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2290    6.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0964    6.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9636    6.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322    6.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5918    5.6505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    7.9567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    8.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779   10.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    9.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.4261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.5261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.9261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  1  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 12 13  1  6  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 15  1  0  0  0  0
 19 20  1  6  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  1  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 24 26  1  6  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003552-3D
FYIcenter.com

 60 61  0     1  0  0  0  0  0999 V2000
    0.6712   -0.4535   -0.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.2560   -0.9862 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4255    0.5228    1.5795 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1166   -2.4390    1.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8825   -2.8114    0.9337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7431    0.1678    0.9448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950    1.4826    0.4505 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0900    0.5964   -0.7093 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1390   -0.5280    0.3345 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9280   -0.1673    1.2345 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2659    0.0003   -1.2852 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665    1.5241   -0.6832 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3420    0.8590    1.0974 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8234    1.9997   -2.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509    1.9082    2.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1247    2.9079    0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3428    0.8189   -2.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7650    0.7503   -0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4701    0.2679   -2.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4571    3.2291    1.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3481    0.5653    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7771    0.2267    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0192   -0.5980    0.2110 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7103   -2.0914    0.2494 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$