Molecule FYI-1004653

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Molecule Summary:

ID: FYI-1004653
Names:
InChIKey: RUBYQYMLYZMHQR-SSDOTTSWSA-N
SMILES: C[C@@H](N)C(=O)Nc1ccccc1

Received at FYIcenter.com on: 2023-09-19

Molecule ID: FYI-1004653 Edit

Molecule Structure InChIKey: RUBYQYMLYZMHQR-SSDOTTSWSA-N

Molecule Structure SMILES String: C[C@@H](N)C(=O)Nc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004653
FYIcenter.com

 12 12  0  0  1  0  0  0  0  0999 V2000
    7.2746    2.1000    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
    6.0622    4.2000    0.0000 N   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
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
  2  1  1  0  0  0  0
  2  3  1  6  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004653-3D
FYIcenter.com

 24 24  0     1  0  0  0  0  0999 V2000
   -1.4800    1.4643    0.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4636   -0.6207   -0.1866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034    0.5075   -0.7960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8695   -0.4623   -0.2289 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5349    0.2598   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163   -0.3212   -0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4095   -0.9734    1.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8430   -1.3387   -0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3108    0.9832    0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2031   -1.0431   -0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709    1.2789    0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6169    0.2656    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7602   -1.2974   -0.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5298   -0.1593    1.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3794   -1.4661    0.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7179   -1.6995    1.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6790   -1.5990   -0.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5313   -2.3613   -0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6428    1.8214    0.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7167    0.0721   -0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4908    0.7798   -1.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9398   -1.8319   -0.2771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9948    2.2977    0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6759    0.4958    0.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

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2023-09-23, 1307👍, 0💬