Molecule Editor

Molecule ID: FYI-1007443 Edit

Molecule Structure InChIKey: GISZZQYELFSDFG-JEDIYAMRSA-N

Molecule Structure SMILES String: NCC(=O)Nc5ccc4cc(C(=O)N[C@H](CO[C@@H](Cc1ccccc1)[C@H](N)CN3CC2C=NC=NC2C[C@H]3C(N)=O)CC(N)=O)ccc4c5.CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007443
FYIcenter.com

 51 54  0  0  0  0  0  0  0  0999 V2000
    9.7709   10.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7709   12.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5387   12.8716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3064   12.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3064   10.7368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5387   10.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0035   10.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2359   10.7368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2359   12.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0035   12.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4682   10.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4682    8.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7007    7.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7007    6.4678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4682    5.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4682    4.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7007    3.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7007    2.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9332    1.4872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4682    1.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2006    7.9558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3148   13.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6156   12.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2359    3.6217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0035    4.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7709    3.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7709    2.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5387    4.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3064    3.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3064    2.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5387    1.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0035    5.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0738    4.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0738    1.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2390   14.4815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7108    8.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1657    7.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1657    6.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3981    5.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6303    6.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6303    7.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3981    8.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    1.5008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    3.5983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6772    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6772    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 12 21  1  6  0  0  0
  9 22  1  1  0  0  0
 22 23  2  0  0  0  0
 16 24  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 25  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 31  2  0  0  0  0
 26 28  2  0  0  0  0
 25 32  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 30 36  2  0  0  0  0
 29 33  2  0  0  0  0
 22 37  1  0  0  0  0
 13 38  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 39 44  2  0  0  0  0
 39 40  1  0  0  0  0
 38 39  1  0  0  0  0
 35 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 46 49  2  0  0  0  0
 50 51  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007443-3D
FYIcenter.com

100103  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  2  3  1  0  0  0  0
  2 54  1  0  0  0  0
  2 55  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 56  1  0  0  0  0
  6 49  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 57  1  0  0  0  0
  8  9  1  0  0  0  0
  8 58  1  0  0  0  0
  9 48  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 59  1  0  0  0  0
 11 12  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 60  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 61  1  0  0  0  0
 16 17  1  0  0  0  0
 16 62  1  0  0  0  0
 16 63  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 18 64  1  0  0  0  0
 19 20  1  0  0  0  0
 19 65  1  0  0  0  0
 19 66  1  0  0  0  0
 20 25  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 67  1  0  0  0  0
 22 23  1  0  0  0  0
 22 68  1  0  0  0  0
 23 24  2  0  0  0  0
 23 69  1  0  0  0  0
 24 25  1  0  0  0  0
 24 70  1  0  0  0  0
 25 71  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 72  1  0  0  0  0
 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 28 29  1  0  0  0  0
 28 75  1  0  0  0  0
 28 76  1  0  0  0  0
 29 38  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 77  1  0  0  0  0
 30 78  1  0  0  0  0
 31 36  1  0  0  0  0
 31 32  1  1  0  0  0
 31 79  1  0  0  0  0
 32 33  2  0  0  0  0
 32 80  1  6  0  0  0
 33 34  1  1  0  0  0
 34 35  2  0  0  0  0
 34 81  1  6  0  0  0
 35 36  1  1  0  0  0
 36 37  1  0  0  0  0
 36 82  1  0  0  0  0
 37 38  1  0  0  0  0
 37 83  1  0  0  0  0
 37 84  1  0  0  0  0
 38 39  1  0  0  0  0
 38 85  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 40 86  1  0  0  0  0
 40 87  1  0  0  0  0
 42 43  1  0  0  0  0
 42 88  1  0  0  0  0
 42 89  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 44 90  1  0  0  0  0
 44 91  1  0  0  0  0
 46 47  2  0  0  0  0
 46 92  1  0  0  0  0
 47 48  1  0  0  0  0
 47 93  1  0  0  0  0
 48 49  1  0  0  0  0
 49 94  1  0  0  0  0
 50 51  1  0  0  0  0
 50 95  1  0  0  0  0
 50 96  1  0  0  0  0
 50 97  1  0  0  0  0
 51 98  1  0  0  0  0
 51 99  1  0  0  0  0
 51100  1  0  0  0  0
M  END
$$$$