Molecule FYI-1007359

A

Molecule Summary:

ID: FYI-1007359
Names:
InChIKey: XUFPXTAALFAYLQ-UHFFFAOYSA-N
SMILES: CCOC(=O)Oc1cc(CCNC(=O)C(CCSC)NC(C)=O)ccc1OC(=O)OCCc2ccccc2

Received at FYIcenter.com on: 2024-02-17

Molecule ID: FYI-1007359 Edit

Molecule Structure InChIKey: XUFPXTAALFAYLQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)Oc1cc(CCNC(=O)C(CCSC)NC(C)=O)ccc1OC(=O)OCCc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007359
FYIcenter.com

 38 39  0  0  0  0  0  0  0  0999 V2000
   20.6114    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
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 17 16  1  0  0  0  0
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 20 19  1  0  0  0  0
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 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007359-3D
FYIcenter.com

 72 73  0  0  1  0  0  0  0  0999 V2000
    2.3662    0.5509   -1.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3332    8.9740    1.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8886    2.7757    0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
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 37 38  1  0  0  0  0
 37 71  1  0  0  0  0
 38 72  1  0  0  0  0
M  END
$$$$

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2024-02-28, 165👍, 0💬