Molecule FYI-1014854

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A

Molecule Summary:

ID: FYI-1014854
Names:
InChIKey: ROHFNLRQFUQHCH-RXMQYKEDSA-N
SMILES: CC(C)CC(N)C(=O)O

Received at FYIcenter.com on: 2025-05-30

Molecule ID: FYI-1014854 Edit

Molecule Structure InChIKey: ROHFNLRQFUQHCH-RXMQYKEDSA-N

Molecule Structure SMILES String: CC(C)CC(N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014854
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
    6.0759    3.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2911    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8607    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    2.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    3.5079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4791    3.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.9111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7198    3.4265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8680    2.7744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5895    0.1880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5063    0.7016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9927    2.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1592    0.1880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5623    0.1880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    0.7016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    4.2095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8607    4.2095    0.0000 H   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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  1  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014854-3D
FYIcenter.com

 22 21  0     1  0  0  0  0  0999 V2000
    2.1710   -1.4441    0.0628 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6980    0.7592    0.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2154    1.5429   -0.5507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0098   -0.3827    0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4914   -0.4731    0.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101    0.1021   -0.3914 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4212   -1.0696   -0.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4407    1.0866    0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8686   -0.1213   -0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5202   -0.8771    1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2578    0.0095    1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2459   -1.5338    0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2338   -0.3880   -1.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -0.5590   -1.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0716   -2.1071   -0.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5127   -1.0841   -0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    1.6656    1.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2446    1.5734   -0.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5269    1.1430    0.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8602    1.9055   -1.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311    2.0243    0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1132   -1.5883    0.2946 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  6  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  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  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
$$$$

✍: FYIcenter.com

2025-06-21, 633👍, 0💬