Molecule FYI-1007195

A

Molecule Summary:

ID: FYI-1007195
Names:
InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES: NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-]

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007195 Edit

Molecule Structure InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-O

Molecule Structure SMILES String: NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1007195
FYIcenter.com

 12 11  0  0  1  0  0  0  0  0999 V2000
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   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
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  3  7  1  1  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007195-3D
FYIcenter.com

 27 26  0     1  0  0  0  0  0999 V2000
   -4.0156    0.6394   -0.5608 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0895    1.8054   -0.1958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8699   -1.7025    0.3864 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0319    0.2173   -0.0895 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0463    1.4268    0.5417 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1902   -0.8267   -0.2682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7637   -0.5087    0.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2919   -0.3661    0.7335 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1586   -0.7912   -0.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3548   -0.9770   -0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8521    0.8020   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4182    0.2812    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276    0.4089    1.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4739   -1.3136    1.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6139   -0.1880    1.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3873    0.0344   -1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5948   -1.6991   -1.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -1.1876   -1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -1.8159    0.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8884   -1.7083    0.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4767   -2.4540    0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7060   -1.9487   -0.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4981    1.0525    0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102    2.2536    0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0567    1.4675    0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836   -1.6881   -0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2021   -0.8045   -0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  2  0  0  0  0
  4 23  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$

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2024-02-18, 198👍, 0💬