Molecule FYI-1001385

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A

Molecule Summary:

ID: FYI-1001385
SMILES: CCCc(cc1)ccc1OCC(Nc(cc1)ccc1S(Nc1c(C)c(C)no1)(=O)=O)=O

Received at FYIcenter.com on: 2022-06-22

Molecule ID: FYI-1001385 Edit

Molecule Structure SMILES String: CCCc(cc1)ccc1OCC(Nc(cc1)ccc1S(Nc1c(C)c(C)no1)(=O)=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001385
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   15.7617    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.4617    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0617    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4655    4.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4023    5.3710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7023    6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3329    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2925    7.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2717    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  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 24  1  0  0  0  0
 29 28  2  0  0  0  0
 29 21  1  0  0  0  0
 30 15  1  0  0  0  0
 31 30  2  0  0  0  0
 31 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001385-3D
FYIcenter.com

 56 58  0  0  0  0  0  0  0  0999 V2000
   14.2309   -5.4174   -5.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5014   -5.0613   -4.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7492   -3.5510   -4.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7091   -2.7634   -3.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4263   -3.0538   -2.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5157   -2.2778   -1.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0402   -1.6893   -4.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1320   -0.9100   -3.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8761   -1.1833   -2.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0149   -0.3181   -1.7064 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7967   -0.5651   -0.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8006    0.3947    0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3986    1.5187    0.9281 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5738    2.4631    1.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2916    2.3085    2.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4531    3.2208    3.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0414    3.5449    0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1709    4.4380    1.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792    4.2770    2.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6212    5.2958    3.6546 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4967    6.5532    4.4004 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1592    7.3807    3.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6436    8.4859    2.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3137    9.1224    2.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7112    8.9002    1.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7475   10.0142    0.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8043    8.1411    2.1400 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4585    7.2145    3.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7791    5.8388    2.6142 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0620    4.5098    4.7381 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5967    0.1485    0.3912 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1230   -6.5055   -5.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2588   -5.0223   -6.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3422   -5.0221   -4.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3525   -5.5244   -5.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4640   -5.5058   -3.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8534   -3.1515   -5.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7181   -3.3806   -4.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9242   -3.8838   -1.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3414   -2.5608   -0.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2280   -1.4385   -5.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6311   -0.0769   -4.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7462   -0.4911    0.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3821   -1.5711   -0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0953    1.9160    0.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7170    1.4774    3.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2212    3.0723    4.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2323    3.6570   -0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7008    5.2306    0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1390    6.1263    5.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7165    8.6483    3.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7491    9.0756    2.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4311   10.1796    3.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8363   10.6190    1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8441    9.6212   -0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5985   10.6742    1.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  6  9  2  0  0  0  0
  6 40  1  0  0  0  0
  7  8  2  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  2  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 16 19  2  0  0  0  0
 16 47  1  0  0  0  0
 17 18  2  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  2  0  0  0  0
 20 30  2  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

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2022-07-26, 465👍, 0💬