Molecule FYI-1006212

A

Molecule Summary:

ID: FYI-1006212
Names:
InChIKey: OPFQLRORFOLUBK-WPMUBMLPSA-N
SMILES: CN(C)C(=N)NCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccccc2)C(=O)O

Received at FYIcenter.com on: 2023-12-02

Molecule ID: FYI-1006212 Edit

Molecule Structure InChIKey: OPFQLRORFOLUBK-WPMUBMLPSA-N

Molecule Structure SMILES String: CN(C)C(=N)NCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccccc2)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006212
FYIcenter.com

 60 61  0  0  1  0  0  0  0  0999 V2000
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   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8239    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1  0  0  0
  3 27  1  0  0  0  0
  4  2  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  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  6  0  0  0
 13 27  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
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 20 18  1  0  0  0  0
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 31 30  1  0  0  0  0
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 59 58  2  0  0  0  0
 60 59  1  0  0  0  0
 56 60  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006212-3D
FYIcenter.com

115116  0  0  1  0  0  0  0  0999 V2000
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   17.7260    6.5426   10.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3619    6.7635   12.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8487    4.3735   11.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1911    4.6441   13.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3129    3.8013   14.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8848    1.9156   14.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1805    0.5532   12.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9347    1.1357   10.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3395    3.0134   10.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8612    6.2891   14.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
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 60115  1  0  0  0  0
M  END
$$$$

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2023-12-10, 289👍, 0💬