Molecule FYI-1003552

A

Molecule Summary:

ID: FYI-1003552
Names:
InChIKey: GIBQQARAXHVEGD-BSOLPCOYSA-N
SMILES: C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)[C@@H](C)O

Received at FYIcenter.com on: 2023-07-01

Molecule ID: FYI-1003552 Edit

Molecule Structure InChIKey: GIBQQARAXHVEGD-BSOLPCOYSA-N

Molecule Structure SMILES String: C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)[C@@H](C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003552
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    8.8894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3199    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9276    1.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5351    2.2653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5734    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1811    3.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3964    4.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7964    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2290    6.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0964    6.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9636    6.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322    6.5873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5918    5.6505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2779    8.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779   10.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    9.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.9261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  1  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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
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 12  8  1  0  0  0  0
 12 13  1  6  0  0  0
 14 13  2  0  0  0  0
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 23 22  1  1  0  0  0
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 25 24  1  0  0  0  0
 24 26  1  6  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003552-3D
FYIcenter.com

 60 61  0     1  0  0  0  0  0999 V2000
    0.6712   -0.4535   -0.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.2560   -0.9862 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4255    0.5228    1.5795 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1166   -2.4390    1.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0900    0.5964   -0.7093 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9280   -0.1673    1.2345 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2659    0.0003   -1.2852 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3481    0.5653    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7771    0.2267    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-07-11, 1173👍, 0💬