Molecule FYI-1002054

A

Molecule Summary:

ID: FYI-1002054
Names:
InChIKey: GBQVZNKFIVRWDH-WDEREUQCSA-N
SMILES: CN(C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O

Received at FYIcenter.com on: 2023-01-24

Molecule ID: FYI-1002054 Edit

Molecule Structure InChIKey: GBQVZNKFIVRWDH-WDEREUQCSA-N

Molecule Structure SMILES String: CN(C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002054
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002054-3D
FYIcenter.com

 40 40  0     1  0  0  0  0  0999 V2000
    1.4665   -2.7891    0.4802 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7168    1.2374    0.0886 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4236   -0.0139   -0.4148 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5221    0.9243    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622    0.3871    0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0627   -0.5340   -0.3105 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7517   -1.4687   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6699   -2.4267   -0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6889   -1.9859   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882   -0.1572    0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8691    0.5241   -0.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283    0.8340    1.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1893    2.3716   -0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8330    1.4873   -1.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9601    1.6097    0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3558    0.0582   -1.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    0.3379    1.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766    1.4153   -0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1433   -0.4821   -1.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6936   -1.7968   -0.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8371   -1.6046    1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6357   -2.4658   -1.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -3.4374   -0.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1848   -0.8226   -0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125   -0.3265    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7912    0.4263   -1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2623   -0.4136   -0.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6321    1.2852   -0.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7254    1.1569    2.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9152   -0.1555    1.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4212    1.5109    1.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3634    2.7937    0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9397    2.4457   -1.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0488    3.0293   -0.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    0.7896   -1.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2077    2.5028   -1.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658    1.4525   -1.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8685    1.4554    1.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1754    2.6741    0.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8177    1.0302    0.4075 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 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-24, 2687👍, 0💬