Molecule FYI-1013001

A

Molecule Summary:

ID: FYI-1013001
Names:
InChIKey: KJHKTHWMRKYKJE-SUGCFTRWSA-N
SMILES: Cc1cccc(C)c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O

Received at FYIcenter.com on: 2024-11-06

Molecule ID: FYI-1013001 Edit

Molecule Structure InChIKey: KJHKTHWMRKYKJE-SUGCFTRWSA-N

Molecule Structure SMILES String: Cc1cccc(C)c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013001
FYIcenter.com

 46 49  0  0  1  0  0  0  0  0999 V2000
   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
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 44 39  1  0  0  0  0
 45 44  2  0  0  0  0
 22 46  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013001-3D
FYIcenter.com

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 41 88  1  0  0  0  0
 41 89  1  0  0  0  0
 42 43  1  0  0  0  0
 42 90  1  0  0  0  0
 42 91  1  0  0  0  0
 43 44  1  0  0  0  0
 43 92  1  0  0  0  0
 43 93  1  0  0  0  0
 44 45  1  0  0  0  0
 44 94  1  0  0  0  0
 45 46  2  0  0  0  0
M  END
$$$$

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2024-11-23, 191👍, 0💬