Molecule FYI-1002468

A

Molecule Summary:

ID: FYI-1002468
Names:
InChIKey: ARGYZYKHZSZDAU-UHFFFAOYSA-N
SMILES: C=[S+](=O)(=O)NC4CCC3CC(C2CC(N1CCC(O)NC1O)CC(C(C)(C)C)C2OCF)CCC3C4

Received at FYIcenter.com on: 2023-04-02

Molecule ID: FYI-1002468 Edit

Molecule Structure InChIKey: ARGYZYKHZSZDAU-UHFFFAOYSA-N

Molecule Structure SMILES String: C=[S+](=O)(=O)NC4CCC3CC(C2CC(N1CCC(O)NC1O)CC(C(C)(C)C)C2OCF)CCC3C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002468
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
   12.3120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    0.5124    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.7876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  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
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  2  0  0  0  0
 24 21  2  0  0  0  0
 25  9  1  0  0  0  0
 25  5  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
 29  7  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 32  1  0  0  0  0
 35 34  1  0  0  0  0
 35 29  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002468-3D
FYIcenter.com

 83 86  0  0  1  0  0  0  0  0999 V2000
    1.1116    1.1323   -8.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7697    1.6984   -8.6113 S   0  3  0  0  0  0  0  0  0  0  0  0
    3.4124    1.1264   -9.7533 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    3.1406   -8.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3722    0.9864   -7.2293 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7965    1.2805   -6.8833 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1063    0.5200   -5.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5070    1.1599   -4.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7798    2.6518   -4.2762 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3029    3.3261   -2.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9219    4.7340   -2.8713 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5201    4.7748   -2.7949 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3192    3.6735   -2.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4300    3.7056   -0.5278 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3869    2.7238    0.1151 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.8070    2.7874   -0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1154    2.1019   -1.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2943    0.8260   -1.8689 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0176   -0.3247   -1.4772 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    0.8185   -1.2383 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0493    1.3080    0.1016 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8398    1.0194    0.7403 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7333    5.1498   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9896    6.3149   -0.7967 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4267    7.7355   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9410    7.9823   -0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917    8.9100   -0.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0531    7.8209    1.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1454    6.1283   -2.3461 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6143    7.2148   -3.1027 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9199    7.1453   -4.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2657    7.1547   -4.6682 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2964    5.5075   -4.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5676    4.8794   -5.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917    3.3776   -5.5421 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0523    2.7828   -6.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4556    1.4641   -9.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7314    0.4548   -7.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2465   -0.0148   -7.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4264    0.8785   -7.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1988    0.4786   -5.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668   -0.5178   -5.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    0.6872   -3.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4348    0.9384   -4.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8725    2.7366   -4.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5453    2.7255   -2.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    3.4127   -3.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5277    5.1932   -1.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8405    4.6130   -3.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3311    3.8348   -2.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0095    2.6940   -2.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4308    3.4874   -0.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4084    2.2729    0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2057    3.8070   -0.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1867    1.8779   -1.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9261    2.8026   -2.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1367    0.7191   -2.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -0.2204   -0.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6409   -0.1298   -1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7955    0.7440    0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4921    1.8830    0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8076    5.3353   -0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4881    5.1863    1.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9218    6.2184   -0.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2627    7.8704   -1.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5349    7.2986    0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2087    8.9969   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0708    9.1088   -1.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8423    9.8448   -0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6134    8.7287   -0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6146    7.1118    1.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9851    7.6260    1.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2644    8.8175    1.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2220    6.1045   -2.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4513    7.9723   -5.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    6.2425   -4.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5712    6.5631   -4.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2048    5.5441   -3.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6046    4.9954   -5.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    5.4210   -6.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    3.2477   -5.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1377    2.9156   -6.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8548    3.3291   -7.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 49  1  0  0  0  0
 13 14  1  0  0  0  0
 13 50  1  0  0  0  0
 13 51  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 14 52  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 18  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 57  1  0  0  0  0
 19 58  1  0  0  0  0
 20 21  1  0  0  0  0
 20 59  1  0  0  0  0
 21 22  1  0  0  0  0
 21 60  1  0  0  0  0
 22 61  1  0  0  0  0
 23 24  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 24 64  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 68  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 28 71  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
 29 30  1  0  0  0  0
 29 74  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 33 34  1  0  0  0  0
 33 77  1  0  0  0  0
 33 78  1  0  0  0  0
 34 35  1  0  0  0  0
 34 79  1  0  0  0  0
 34 80  1  0  0  0  0
 35 36  1  0  0  0  0
 35 81  1  0  0  0  0
 36 82  1  0  0  0  0
 36 83  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1462👍, 0💬