Molecule FYI-1001061

A

Molecule Summary:

ID: FYI-1001061
SMILES: C.CC.C[C@H]1CCN2CCCNC2=[NH+]1.CCSC[C@H]1CCN2CCCNC2=[NH+]1.O=C1OCCC(C)C1CO.O=C1CC(SCC)C(=O)N1CCCC(=O)NCCC1C[C@H](O)[C@@]23O[C@@H]2C[C@@H]2[C@H](CC[C@]4(C)CCC[C@@H]24)[C@@]3(C)C1=O

Received at FYIcenter.com on: 2021-11-23

Molecule ID: FYI-1001061 Edit

Molecule Structure SMILES String: C.CC.C[C@H]1CCN2CCCNC2=[NH+]1.CCSC[C@H]1CCN2CCCNC2=[NH+]1.O=C1OCCC(C)C1CO.O=C1CC(SCC)C(=O)N1CCCC(=O)NCCC1C[C@H](O)[C@@]23O[C@@H]2C[C@@H]2[C@H](CC[C@]4(C)CCC[C@@H]24)[C@@]3(C)C1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001061
FYIcenter.com

 64 68  0  0  1  0  0  0  0  0999 V2000
   17.5655   10.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3001    5.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3035   19.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0911   19.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8785   19.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6661   19.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6661   17.6388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4537   16.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4537   15.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6661   14.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8785   15.5388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0911   17.6388    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   13.8330   13.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0455   12.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8330   14.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0455   15.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0455   16.9801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9281   12.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967   12.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1640   14.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7640   14.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411   15.1869    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5106   16.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6877   17.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314   12.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8889    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1013    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8889    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1013    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1013    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3137    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3137    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7387    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7387    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9511    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1635    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1635    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9511    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9511    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1635    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3760    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    6.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7074    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5304    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7074    3.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3760    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7387    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7387    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  5  4  1  6  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 28  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 34 26  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 45 46  1  1  0  0  0
 47 45  1  0  0  0  0
 47 48  1  1  0  0  0
 49 48  1  1  0  0  0
 49 47  1  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  6  0  0  0
 52 51  1  0  0  0  0
 52 53  1  1  0  0  0
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 55 54  1  0  0  0  0
 55 56  1  1  0  0  0
 57 55  1  0  0  0  0
 58 57  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  1  0  0  0
 60 51  1  0  0  0  0
 60 55  1  0  0  0  0
 61 52  1  0  0  0  0
 61 47  1  0  0  0  0
 61 62  1  1  0  0  0
 63 61  1  0  0  0  0
 63 43  1  0  0  0  0
 64 63  2  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2022-04-02, 1808👍, 0💬