Molecule Editor

Molecule ID: FYI-1007360 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-1007360
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
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   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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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  6  5  2  0  0  0  0
  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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 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
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 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007360-3D
FYIcenter.com

 72 73  0  0  1  0  0  0  0  0999 V2000
    3.0263    1.4963   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9892   -2.3969    1.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3354   -2.7250    1.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2036   -1.7048    3.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1430   -2.9160    3.6826 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2034   -1.3108    5.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3345    1.2190    6.8770 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5680    1.9219    7.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4600   -0.7020    3.7339 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8073    0.2280    2.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2408    0.1497    2.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$