Molecule FYI-1011443

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A

Molecule Summary:

ID: FYI-1011443
Names:
InChIKey: RJFAYQIBOAGBLC-UHFFFAOYSA-N
SMILES: C[Se]CCC(N)C(=O)O

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

Molecule ID: FYI-1011443 Edit

Molecule Structure InChIKey: RJFAYQIBOAGBLC-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1011443
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  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 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  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011443-3D
FYIcenter.com

 20 19  0  0  1  0  0  0  0  0999 V2000
    0.9541    0.8866   -2.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    0.8578   -2.8945 Se  0  0  0  0  0  0  0  0  0  0  0  0
    3.4772    1.3025   -1.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0075    1.4287   -1.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5562    2.5531   -2.0216 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0967    3.8789   -1.5995 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0665    2.5295   -2.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6819    2.7133   -0.9823 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    2.3097   -3.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3142    0.6501   -3.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798    1.8982   -1.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7817    0.1105   -1.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2015    0.4762   -0.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0166    2.2448   -0.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4298    0.4551   -1.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3460    1.6069   -0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2128    2.3763   -3.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3141    4.0369   -0.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0673    3.9739   -1.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3093    2.1615   -4.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
$$$$

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2024-08-14, 627👍, 0💬