Molecule FYI-1011467

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A

Molecule Summary:

ID: FYI-1011467
Names:
InChIKey: XDSSPSLGNGIIHP-UHFFFAOYSA-N
SMILES: C[Se]CC(N)C(=O)O

Received at FYIcenter.com on: 2024-08-09

Molecule ID: FYI-1011467 Edit

Molecule Structure InChIKey: XDSSPSLGNGIIHP-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1011467
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 Se  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
    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
    2.4249    0.0000    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011467-3D
FYIcenter.com

 17 16  0  0  1  0  0  0  0  0999 V2000
    1.1216    0.0673   -0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0204   -0.0955    0.1440 Se  0  0  0  0  0  0  0  0  0  0  0  0
    3.5488    0.5416   -1.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0837    0.5598   -1.7768 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6581   -0.7835   -1.6597 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875    1.1625   -3.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1559    2.1844   -3.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1272    0.5943   -4.2747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5513   -0.3328    0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8597   -0.5422   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8460    1.1331   -0.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1701    1.5801   -1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029   -0.1152   -2.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5015    1.1958   -0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2122   -1.4349   -2.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5080   -1.1600   -0.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6031   -0.2172   -4.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 179👍, 0💬