Molecule FYI-1001471

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Molecule Summary:

ID: FYI-1001471
SMILES: Cc1onc(c1C(=O)N[C@H](C=O)[C@@H]1N[C@@H](C(O)=O)C(C)(C)S1)-c1c(Cl)cccc1Cl

Received at FYIcenter.com on: 2022-08-05

Molecule ID: FYI-1001471 Edit

Molecule Structure SMILES String: Cc1onc(c1C(=O)N[C@H](C=O)[C@@H]1N[C@@H](C(O)=O)C(C)(C)S1)-c1c(Cl)cccc1Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001471
FYIcenter.com

 30 32  0  0  1  0  0  0  0  0999 V2000
    8.1436    4.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8518    6.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7910    7.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7163    8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5696    6.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3539    5.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3539    4.5778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1454    6.6425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9227    5.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9219   11.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2951    9.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
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 15 14  1  0  0  0  0
 15 16  1  6  0  0  0
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 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
 22 13  1  0  0  0  0
 23  5  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 23  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001471-3D
FYIcenter.com

 49 51  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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 29 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 471👍, 0💬