Molecule FYI-1006983

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A

Molecule Summary:

ID: FYI-1006983
Names:
InChIKey: AGPKZVBTJJNPAG-WHFBIAKZSA-N
SMILES: CC[C@H](C)[C@H](N)C(=O)O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006983 Edit

Molecule Structure InChIKey: AGPKZVBTJJNPAG-WHFBIAKZSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006983
FYIcenter.com

 22 21  0  0  1  0  0  0  0  0999 V2000
    0.9829    2.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5684    5.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1537    0.5675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7391    3.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1537    2.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3244    2.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7391    5.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9099    3.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5684    3.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7221    3.8810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1366    1.8306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5949    1.5288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0541    1.5288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8741    5.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7391    6.2791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6041    5.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4774    2.3306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8928    3.8810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3424    4.2963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1707    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1366    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  2  0  0  0  0
  5  3  1  6  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  6  1  0  0  0  0
  4  7  1  1  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  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 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006983-3D
FYIcenter.com

 22 21  0     1  0  0  0  0  0999 V2000
    1.7318    1.0709   -1.2228 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2594    0.4785    0.9014 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6284   -1.6112    0.9265 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8499   -0.1966   -0.5113 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5599   -0.8012   -0.2932 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3284    0.7162    0.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8909   -1.2949   -0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7052    1.3375    0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5949    0.3007   -0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8062    0.4240   -1.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8584   -1.4200   -1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102    1.5338    0.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3472    0.1596    1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5242   -1.9957   -1.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1186   -1.8650    0.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8257   -0.8738   -1.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7682    1.8589   -0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9027    2.0653    1.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4975    0.5847    0.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4726   -1.0328    1.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5632   -2.0056    1.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4077    1.7712   -1.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  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  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  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 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
$$$$

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2024-01-31, 260👍, 0💬