Molecule FYI-1001065

A

Molecule Summary:

ID: FYI-1001065
SMILES: CCC[C@H]1C[C@H]([NH+](C1)C)C(=O)N[C@H]([C@@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)SC)O)O)O)[C@@H](C)C

Received at FYIcenter.com on: 2021-11-24

Molecule ID: FYI-1001065 Edit

Molecule Structure SMILES String: CCC[C@H]1C[C@H]([NH+](C1)C)C(=O)N[C@H]([C@@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)SC)O)O)O)[C@@H](C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001065
FYIcenter.com

 27 28  0  0  1  0  0  0  0  0999 V2000
   10.1091   10.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5397    9.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1473    9.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    7.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    7.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    5.7306    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2779    6.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322    4.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 18  1  0  0  0  0
 14 19  1  1  0  0  0
 18 20  1  6  0  0  0
 21 20  1  0  0  0  0
 17 22  1  1  0  0  0
 16 23  1  1  0  0  0
 15 24  1  1  0  0  0
 25 13  1  0  0  0  0
 25 26  1  6  0  0  0
 27 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001065-3D
FYIcenter.com

 64 65  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2022-04-13, 1704👍, 0💬