Molecule FYI-1003190

A

Molecule Summary:

ID: FYI-1003190
Names:
InChIKey: XUFAVVLEPRJAEI-UHFFFAOYSA-N
SMILES: Nc1ccccc1C(=O)OCC4OC(OC3(CO)OC(COC(=O)c2ccccc2N)C(O)C3O)C(O)C(O)C4O

Received at FYIcenter.com on: 2023-05-20

Molecule ID: FYI-1003190 Edit

Molecule Structure InChIKey: XUFAVVLEPRJAEI-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ccccc1C(=O)OCC4OC(OC3(CO)OC(COC(=O)c2ccccc2N)C(O)C3O)C(O)C(O)C4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003190
FYIcenter.com

 41 44  0  0  0  0  0  0  0  0999 V2000
   10.2590    6.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8610    6.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4915    6.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3452    7.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6241    8.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9153    9.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2467   10.1570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5378   11.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4974   12.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1659   12.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1256   12.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4166   14.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7480   14.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7885   13.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1200   14.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8946    4.7814    0.0000 O   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
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  5  4  1  0  0  0  0
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  7  6  1  0  0  0  0
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 36 28  2  0  0  0  0
 37 25  1  0  0  0  0
 37 21  1  0  0  0  0
 38 24  1  0  0  0  0
 39 23  1  0  0  0  0
 40 22  1  0  0  0  0
 41  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003190-3D
FYIcenter.com

 73 76  0  0  1  0  0  0  0  0999 V2000
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    0.2628    1.5496    1.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619    2.0507    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0581    1.3432   -0.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6504    0.1254   -0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
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 40 41  1  0  0  0  0
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 41 73  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 2009👍, 0💬