Molecule Editor

Molecule ID: FYI-1013268 Edit

Molecule Structure InChIKey: YCGUHHSFKITRHP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1(C)CC(O)CC(C)(C)N1CCOC(=O)CCC(=O)OC2CC(C)(C)N(CCOC(=O)CCC(=O)O)C(C)(C)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013268
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
   17.9992    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6116    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6116    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9743    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3116    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9116    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0365    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6992    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.7124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.0123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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
  7  2  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  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  4  1  0  0  0  0
 21  2  1  0  0  0  0
 17 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 35 39  2  0  0  0  0
 38 40  1  0  0  0  0
 38 41  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013268-3D
FYIcenter.com

 93 94  0  0  0  0  0  0  0  0999 V2000
    6.3323    3.5899    9.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7929    3.4854    9.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2981    3.6666    8.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1612    4.7236   10.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2640    4.7423   11.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5399    5.8640   12.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6753    3.4624   12.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625    2.2004   11.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7843    2.0772   12.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5566    1.0024   12.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3131    2.2291   10.3589 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7348    0.9418    9.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7117    0.8101    8.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9201   -0.5566    7.8985 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -1.0411    6.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4182   -0.4174    6.1097 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7589   -2.4481    7.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597   -3.0679    6.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123   -4.4111    7.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5975   -5.2570    6.7379 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5425   -4.5130    8.6837 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8976   -5.5596    9.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5829   -5.0570   10.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497   -3.9791   11.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9914   -2.5794   10.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7059   -3.7653   11.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7949   -4.4359   12.1996 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0756   -5.3702   13.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6025   -5.8593   14.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7030   -6.8379   15.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8295   -8.0900   14.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4251   -8.3800   13.5321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1853   -9.1140   15.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7261  -10.5055   15.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2107  -10.6142   15.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6501  -10.9425   16.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9943  -10.2885   14.4118 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0995   -5.0740   11.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2253   -4.0948   11.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8827   -5.8798   12.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7894   -6.0897   10.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6525    4.3792    8.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7989    2.6629    9.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7705    3.8356   10.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3507    4.7205    7.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2538    3.3572    8.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116    3.1598    7.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0946    4.7795   10.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6023    5.6474    9.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3023    4.8761   12.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6154    5.7762   12.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971    3.4340   12.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7396    3.4896   13.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281    1.8620   13.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3722    2.9908   12.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3635    1.2649   12.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4665    1.0927   13.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0461    0.0393   12.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    0.9603   12.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0618    0.1519   10.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7319    0.6453   10.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5452    1.3523    7.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7467    1.1586    7.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5709   -2.3710    8.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6615   -3.0545    7.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519   -3.1870    5.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6657   -2.4173    6.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -6.4129    8.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416   -5.9186   10.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0425   -4.6591    9.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0385   -2.1323   10.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5819   -2.6030    9.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214   -1.8495   11.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3938   -3.2976   11.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805   -3.1036   12.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1984   -4.7067   11.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121   -6.2263   12.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1771   -4.8571   13.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6881   -5.0199   15.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5705   -6.3479   14.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8953   -9.0834   15.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3925   -8.8586   16.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5512  -10.7939   14.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2053  -11.2531   15.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212   -9.8878   13.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2082   -3.1362   11.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2642   -3.9406   10.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2275   -4.5105   11.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0047   -5.2798   13.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9021   -6.1626   12.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4192   -6.8498   12.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2815   -6.9598   10.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281   -6.4647   10.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3 45  1  0  0  0  0
  3 46  1  0  0  0  0
  3 47  1  0  0  0  0
  4  5  1  0  0  0  0
  4 48  1  0  0  0  0
  4 49  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 50  1  0  0  0  0
  6 51  1  0  0  0  0
  7  8  1  0  0  0  0
  7 52  1  0  0  0  0
  7 53  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 54  1  0  0  0  0
  9 55  1  0  0  0  0
  9 56  1  0  0  0  0
 10 57  1  0  0  0  0
 10 58  1  0  0  0  0
 10 59  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 60  1  0  0  0  0
 12 61  1  0  0  0  0
 13 14  1  0  0  0  0
 13 62  1  0  0  0  0
 13 63  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 64  1  0  0  0  0
 17 65  1  0  0  0  0
 18 19  1  0  0  0  0
 18 66  1  0  0  0  0
 18 67  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 22 68  1  0  0  0  0
 23 24  1  0  0  0  0
 23 69  1  0  0  0  0
 23 70  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 71  1  0  0  0  0
 25 72  1  0  0  0  0
 25 73  1  0  0  0  0
 26 74  1  0  0  0  0
 26 75  1  0  0  0  0
 26 76  1  0  0  0  0
 27 28  1  0  0  0  0
 27 38  1  0  0  0  0
 28 29  1  0  0  0  0
 28 77  1  0  0  0  0
 28 78  1  0  0  0  0
 29 30  1  0  0  0  0
 29 79  1  0  0  0  0
 29 80  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 81  1  0  0  0  0
 33 82  1  0  0  0  0
 34 35  1  0  0  0  0
 34 83  1  0  0  0  0
 34 84  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 85  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
 39 86  1  0  0  0  0
 39 87  1  0  0  0  0
 39 88  1  0  0  0  0
 40 89  1  0  0  0  0
 40 90  1  0  0  0  0
 40 91  1  0  0  0  0
 41 92  1  0  0  0  0
 41 93  1  0  0  0  0
M  END
$$$$