Molecule FYI-1013770

A

Molecule Summary:

ID: FYI-1013770
Names:
InChIKey: PFEKQXBAJTYUIK-DPJSNIBVSA-N
SMILES: CCS(=O)(=O)C(O)[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-1013770 Edit

Molecule Structure InChIKey: PFEKQXBAJTYUIK-DPJSNIBVSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1013770
FYIcenter.com

 33 35  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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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  6 12  1  0  0  0  0
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 15 20  1  0  0  0  0
 21 22  1  0  0  0  0
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 20 24  1  0  0  0  0
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 24 25  2  0  0  0  0
  9 26  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 16 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013770-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
   12.2436    2.4253   -4.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4204    2.5409   -3.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0382    1.3965   -3.1232 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1934    1.6421   -4.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5476    0.0631   -2.8383 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2177    1.9718   -1.6377 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0011    1.8222   -0.4294 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7828    1.4283   -1.4105 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1619    2.1498   -0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.6839   -0.2021 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6707    4.3767    1.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2711    4.7976    0.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    4.9340   -0.7793 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4027    4.2500   -1.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    4.1064   -2.5123 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7112   -0.0364   -1.2099 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4873   -0.7076   -1.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4269   -0.0792   -1.3154 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4776   -2.2782   -1.1422 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3348   -2.9304   -2.4108 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0869   -3.3381   -2.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8965   -2.6480   -2.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809   -3.1160   -3.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6405   -4.2740   -3.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8188   -4.9686   -4.0855 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, 331👍, 0💬