Molecule Editor

Molecule ID: FYI-1005851 Edit

Molecule Structure InChIKey: UUAWDWCVLMJOOM-IAMFDIQRSA-N

Molecule Structure SMILES String: CC(C)NC(=O)c3ccc2sc(C1C[C@H](O)[C@@H](CO)O1)nc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005851
FYIcenter.com

 23 25  0  0  1  0  0  0  0  0999 V2000
   11.4079    9.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955    9.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955   11.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9831    9.0056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7706    9.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7706   11.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5582    9.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3458    9.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332    9.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332    7.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0929    6.6689    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6623    5.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4913    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6377    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5318    2.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547    5.5363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3458    6.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5582    7.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 10  1  0  0  0  0
 23 22  2  0  0  0  0
 23  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005851-3D
FYIcenter.com

 43 45  0  0  1  0  0  0  0  0999 V2000
    1.5322   -1.4909   -0.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5851   -0.5473   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9918    0.8381   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1195   -1.1051    0.9777 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3928   -0.8200    1.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7819   -1.4384    2.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2266   -2.6493    3.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6011   -3.2217    4.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5529   -2.5503    5.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2069   -3.0002    6.6827 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1587   -1.5657    6.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8284    0.0227    7.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9936    0.4258    9.2123 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
$$$$