Molecule FYI-1013771

A

Molecule Summary:

ID: FYI-1013771
Names:
InChIKey: HYPFVWSHGUDARR-FWZKFUEWSA-N
SMILES: CCS(=O)(=O)C(OC)[C@H](C[C@@H]1CCNC1=O)NC(=O)C(Oc2ccccc2)c3ccc(F)cc3

Received at FYIcenter.com on: 2025-01-24

Molecule ID: FYI-1013771 Edit

Molecule Structure InChIKey: HYPFVWSHGUDARR-FWZKFUEWSA-N

Molecule Structure SMILES String: CCS(=O)(=O)C(OC)[C@H](C[C@@H]1CCNC1=O)NC(=O)C(Oc2ccccc2)c3ccc(F)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013771
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 20  1  0  0  0  0
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  9 26  1  0  0  0  0
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 26 27  2  0  0  0  0
 16 32  1  0  0  0  0
 32 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013771-3D
FYIcenter.com

 63 65  0  0  1  0  0  0  0  0999 V2000
   -1.0431    1.2430   -0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4159    1.6526   -0.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862    2.2025   -2.2039 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5162    1.1527   -3.1294 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3319    3.5344   -2.3766 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    2.3266   -2.1837 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4079    1.1860   -1.5877 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4216    0.0354   -2.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2446    3.6603   -1.5124 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7579    3.9268   -1.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3881    3.9458   -3.1203 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.0706    5.7031   -3.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9579    6.0485   -4.0174 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9311    5.1320   -3.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8175    5.2745   -4.4098 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8275    3.9282    1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2118    3.8088    2.4236 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1455    4.7509    2.5797 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4758    5.9563    3.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-02-16, 1162👍, 0💬