Molecule FYI-1016219

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Molecule Summary:

ID: FYI-1016219
Names:
InChIKey: CETUIFTXYGHITB-GBXIJSLDSA-N
SMILES: N[C@H](C(=O)O)[C@H](O)CCl

Received at FYIcenter.com on: 2025-11-29

Molecule ID: FYI-1016219 Edit

Molecule Structure InChIKey: CETUIFTXYGHITB-GBXIJSLDSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016219
FYIcenter.com

  9  8  0  0  1  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    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  3  1  0  0  0  0
  4  5  1  6  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  3  9  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016219-3D
FYIcenter.com

 17 16  0     1  0  0  0  0  0999 V2000
   -3.2267    0.0267    0.6804 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0180    1.3812   -0.8157 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9651    1.4328    0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6850   -0.3308    1.4154 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8591   -1.8291   -0.7930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8599   -0.0337   -0.6817 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6374   -0.3817   -0.7933 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5117   -0.4727    0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4696    0.2074    0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954   -0.4880   -1.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.0169   -1.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0410    0.0029    1.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4851   -1.5575    0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2997   -2.2591   -1.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5319   -2.2357    0.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6112    1.8052   -0.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4993    1.8109    0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$

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2025-12-09, 541👍, 0💬