Molecule FYI-1011444

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A

Molecule Summary:

ID: FYI-1011444
Names:
InChIKey: JULROCUWKLNBSN-UHFFFAOYSA-N
SMILES: NC(C[Se][Se]CC(N)C(=O)O)C(=O)O

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

Molecule ID: FYI-1011444 Edit

Molecule Structure InChIKey: JULROCUWKLNBSN-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1011444
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 Se  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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011444-3D
FYIcenter.com

 26 25  0  0  1  0  0  0  0  0999 V2000
    1.0555    0.1287   -0.2158 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5050    0.2368   -0.0295 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8677    1.2372    1.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2713    3.0555    0.6573 Se  0  0  0  0  0  0  0  0  0  0  0  0
    3.1230    3.9390    2.7083 Se  0  0  0  0  0  0  0  0  0  0  0  0
    2.5306    5.7616    2.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9196    6.7534    3.4121 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3733    6.8485    3.5708 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    8.1310    3.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7047    8.7273    2.1136 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4998    8.7226    3.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736   -1.1330    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8883   -1.6274   -0.4940 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922   -1.8318    1.3618 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6649    1.0360   -0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867   -0.1211    0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9581    0.5994   -0.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9740    1.2593    1.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4024    0.9164    2.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4228    5.7485    2.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849    6.0895    1.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    6.3901    4.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8219    7.1186    2.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    5.9335    3.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    8.2974    4.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0448   -1.4905    1.9935 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$

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2024-08-14, 699👍, 0💬