Molecule FYI-1010862

A

Molecule Summary:

ID: FYI-1010862
Names:
InChIKey: NRSBQSJHFYZIPH-IUYQGCFVSA-M
SMILES: O=C([O-])[C@@H]1C[NH2+][C@@H](C(=O)[O-])C1

Received at FYIcenter.com on: 2024-07-16

Molecule ID: FYI-1010862 Edit

Molecule Structure InChIKey: NRSBQSJHFYZIPH-IUYQGCFVSA-M

Molecule Structure SMILES String: O=C([O-])[C@@H]1C[NH2+][C@@H](C(=O)[O-])C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010862
FYIcenter.com

 11 11  0  0  1  0  0  0  0  0999 V2000
    5.9024    4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899    6.1950    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4775    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    4.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    3.6240    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9617    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3312    2.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  1  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010862-3D
FYIcenter.com

 19 19  0     1  0  0  0  0  0999 V2000
   -2.6711   -1.3321   -0.3021 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0392    0.7692    0.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1757   -1.5591    0.5443 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9786    0.5833    0.5441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3831    1.3997    0.2578 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.8439   -0.0287    0.3802 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2015    0.0338   -0.8887 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0750   -0.7651   -0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7672    1.4702   -0.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3292   -0.2172    0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2186   -0.3540    0.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5474   -0.3651    1.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587   -0.1336   -1.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6233   -0.7436   -1.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0659   -1.8226   -0.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948    1.7508    1.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1469    2.0140   -0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4941    2.1832   -0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.8694   -1.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3 11  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$

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