Molecule FYI-1007519

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A

Molecule Summary:

ID: FYI-1007519
Names:
InChIKey: AYFVYJQAPQTCCC-UHFFFAOYSA-N
SMILES: CC(O)C(N)C(=O)O

Received at FYIcenter.com on: 2024-02-27

Molecule ID: FYI-1007519 Edit

Molecule Structure InChIKey: AYFVYJQAPQTCCC-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007519
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    1.5876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  6 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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007519-3D
FYIcenter.com

 17 16  0     1  0  0  0  0  0999 V2000
   -1.7106   -1.1847    0.3581 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9758   -1.6811    0.1310 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214    0.1505   -0.7007 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4053    1.8669    0.5743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3544    0.1880    0.2043 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0664    0.4488    0.7285 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5255    0.5514   -1.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1216   -0.3398   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453    0.1699    1.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0741    0.7709    0.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273    1.6097   -1.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5518    0.3376   -1.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8762   -0.0531   -1.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3076    2.0515    1.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    2.4357    1.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6070   -1.4093    1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6641   -2.1843   -0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$

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2024-03-07, 140👍, 0💬