Molecule Editor

Molecule ID: FYI-1013851 Edit

Molecule Structure InChIKey: QWSUNXBFYFCIMD-PDJQOOBSSA-N

Molecule Structure SMILES String: CCOC3CC(CC(O)N[C@@H](C[C@@H](C)C)C1CCCCC1N2CCCCC2)CCC3C(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013851
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    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
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 N   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
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  1  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  7  3  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 10  1  0  0  0  0
 13  1  1  0  0  0  0
 14  3  1  0  0  0  0
 15  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 16 13  1  1  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 23 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
 25  8  1  0  0  0  0
 26 11  1  0  0  0  0
 26 21  1  0  0  0  0
 27 12  1  0  0  0  0
 28 27  1  0  0  0  0
 28 26  1  0  0  0  0
 29 22  1  0  0  0  0
 29 28  1  0  0  0  0
 30 21  1  0  0  0  0
 31 30  1  0  0  0  0
 32 16  1  0  0  0  0
 32  8  1  0  0  0  0
 33 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013851-3D
FYIcenter.com

 85 87  0  0  1  0  0  0  0  0999 V2000
    5.9531   -7.8365    5.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4179   -7.0316    4.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9480   -5.6961    4.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5639   -4.9060    3.6634 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4664   -3.6653    3.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1241   -2.7811    2.3432 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5273   -3.4517    0.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728   -2.6098   -0.2565 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7162   -1.3151   -0.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7244   -3.0286   -1.5225 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3536   -4.3112   -2.1610 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8046   -4.3417   -2.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0839   -5.5587   -2.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4316   -6.9006   -2.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5636   -5.3509   -2.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2528   -4.3494   -3.4734 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1238   -5.5997   -4.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8063   -5.4632   -5.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1886   -4.8305   -5.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3765   -3.7097   -4.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7996   -3.9834   -3.2951 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7340   -4.7863   -2.4486 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4069   -4.7214   -1.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3291   -5.5009   -0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4909   -6.9290   -0.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -6.8806   -1.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1246   -6.1086   -2.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6399   -2.3899    2.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7305   -3.6134    2.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0745   -4.5103    3.7084 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6237   -3.8484    5.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2114   -3.7307    4.9622 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9376   -4.5940    6.1864 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4743   -8.8206    5.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7707   -7.3193    6.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0339   -7.9760    5.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3266   -6.9982    4.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6988   -7.5074    3.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -5.5127    2.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5217   -3.9615    3.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3608   -3.0699    4.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7146   -1.8593    2.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0687   -4.4401    0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -3.6069    1.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0937   -2.4873   -0.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6086   -1.3913   -0.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4956   -2.2781   -2.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6113   -5.1612   -1.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5218   -3.4555   -2.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3475   -4.2154   -1.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3033   -5.6103   -4.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1484   -6.9227   -1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4971   -7.1282   -2.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939   -7.7161   -2.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2119   -5.2918   -1.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0357   -6.1769   -3.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2789   -4.4265   -3.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8414   -3.5319   -4.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0859   -5.7957   -4.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4601   -6.4920   -3.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1556   -4.8602   -6.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8591   -6.4535   -6.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3865   -4.4336   -6.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9407   -5.6111   -5.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8763   -2.8120   -5.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4381   -3.4379   -4.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8255   -2.9834   -2.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4188   -5.1344   -0.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4075   -3.6754   -0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8989   -5.5057    0.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3064   -5.0097   -0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5199   -7.4419   -0.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1549   -7.4903    0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1976   -7.8982   -2.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0477   -6.4056   -1.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2571   -6.7436   -3.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6786   -6.0251   -3.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3483   -1.7749    1.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4822   -1.7457    3.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8153   -4.2056    1.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6876   -3.2827    2.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -5.4263    3.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0588   -2.8540    5.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898   -2.9006    5.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8060   -5.0104    6.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 45  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 48  1  1  0  0  0
 12 13  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 51  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 15 55  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 16 58  1  0  0  0  0
 17 18  1  0  0  0  0
 17 59  1  0  0  0  0
 17 60  1  0  0  0  0
 18 19  1  0  0  0  0
 18 61  1  0  0  0  0
 18 62  1  0  0  0  0
 19 20  1  0  0  0  0
 19 63  1  0  0  0  0
 19 64  1  0  0  0  0
 20 21  1  0  0  0  0
 20 65  1  0  0  0  0
 20 66  1  0  0  0  0
 21 22  1  0  0  0  0
 21 67  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 68  1  0  0  0  0
 23 69  1  0  0  0  0
 24 25  1  0  0  0  0
 24 70  1  0  0  0  0
 24 71  1  0  0  0  0
 25 26  1  0  0  0  0
 25 72  1  0  0  0  0
 25 73  1  0  0  0  0
 26 27  1  0  0  0  0
 26 74  1  0  0  0  0
 26 75  1  0  0  0  0
 27 76  1  0  0  0  0
 27 77  1  0  0  0  0
 28 29  1  0  0  0  0
 28 78  1  0  0  0  0
 28 79  1  0  0  0  0
 29 30  1  0  0  0  0
 29 80  1  0  0  0  0
 29 81  1  0  0  0  0
 30 31  1  0  0  0  0
 30 82  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 83  1  0  0  0  0
 32 84  1  0  0  0  0
 33 85  1  0  0  0  0
M  END
$$$$