Molecule FYI-1001092

A

Molecule Summary:

ID: FYI-1001092
SMILES: O[C@H]1CC2[C@]3(CC[C@H](CC3C[C@H](C2C4CCC([C@@]14C)[C@@H](CCC(NCC(O)=O)=O)C)O)OC5C(C(C(C(O5)C(O)=O)O)O)O)C

Received at FYIcenter.com on: 2021-12-20

Molecule ID: FYI-1001092 Edit

Molecule Structure SMILES String: O[C@H]1CC2[C@]3(CC[C@H](CC3C[C@H](C2C4CCC([C@@]14C)[C@@H](CCC(NCC(O)=O)=O)C)O)OC5C(C(C(C(O5)C(O)=O)O)O)O)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001092
FYIcenter.com

 45 49  0  0  1  0  0  0  0  0999 V2000
    7.5397   10.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9091   10.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417    8.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7111    8.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1437    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2070    6.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6396    4.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0089    4.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9457    5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5131    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4500    7.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0172    9.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6479    9.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153   10.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153   12.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784   13.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458   11.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5144   11.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   13.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.3263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.7263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   14.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9541   10.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4415    3.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8110    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2436    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6130    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5499    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1173    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7478    3.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0540    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4233    4.4527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6214    6.0753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9192    2.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0457    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3069    0.5821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7743    7.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  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  4  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  2  1  0  0  0  0
 18 14  1  0  0  0  0
 18 19  1  1  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  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 26  2  0  0  0  0
 29 23  2  0  0  0  0
 20 30  1  1  0  0  0
 12 31  1  6  0  0  0
  8 32  1  6  0  0  0
 33 32  1  0  0  0  0
 34 33  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
 38 33  1  0  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  2  0  0  0  0
 42 36  1  0  0  0  0
 43 35  1  0  0  0  0
 44 34  1  0  0  0  0
  5 45  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001092-3D
FYIcenter.com

 96100  0  0  1  0  0  0  0  0999 V2000
    2.4815   -0.0704   -0.8944 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8810    0.1333    0.4503 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8915   -0.9878    0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910   -1.0258   -0.2761 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9680   -2.2948   -0.4006 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3456   -3.5373   -1.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4212   -4.4260   -1.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -3.6796   -3.0096 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9419   -2.5965   -2.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1021   -1.7370   -1.3312 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9222   -0.6436   -0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1130    0.6354   -0.7570 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5970    0.4408   -0.4881 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0415    1.5848    0.4101 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3105    2.9873   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0719    3.8089    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9157    2.8023   -0.0705 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4973    1.5374    0.6941 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2973    1.7982    2.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3729    2.7109   -1.5539 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7681    4.0736   -2.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2541    4.0658   -3.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5661    5.3626   -3.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3890    6.3611   -4.2408 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9239    7.7271   -4.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0369    7.9497   -5.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9353    7.0303   -5.8705 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1057    8.9546   -6.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6505    5.5080   -3.7438 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3052    2.1886   -2.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2204    1.1428   -2.1096 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1184   -3.4037   -3.9769 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0979   -2.3467   -4.9395 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6074   -2.0337   -5.2487 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9677   -3.3405   -5.7673 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5717   -3.6275   -7.1419 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1175   -3.5659   -7.1020 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7485   -2.6178   -6.2016 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5999   -3.2771   -8.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1481   -2.0411   -8.6788 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4758   -4.0495   -9.4856 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9862   -2.6472   -8.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -3.2417   -5.8708 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9293   -1.5101   -4.1117 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1995   -2.8509    1.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5169   -0.0213   -0.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797    0.0016    1.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3581   -1.9459    0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110   -0.8329    1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4216   -1.1698   -1.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6376   -3.1713   -1.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7656   -4.1622   -0.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9330   -5.3190   -2.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1585   -4.7674   -1.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8499   -4.3455   -3.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4135   -1.9379   -3.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7607   -3.0635   -1.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5140   -1.2357   -2.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8831   -0.5044   -1.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1550   -0.8751    0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5593    1.4073   -0.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1695    0.6716   -1.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5922    1.5412    1.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4596    2.9398   -1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2104    3.4561    0.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0064    4.7044   -0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1290    4.1761    1.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0613    3.1775    0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808    1.5332    2.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350    2.8431    2.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9909    1.2077    2.8463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5195    2.0273   -1.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420    4.3294   -1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    4.8771   -1.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583    3.2389   -3.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0816    3.9423   -4.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3909    6.2127   -4.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8184    8.3356   -4.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3746    8.0589   -3.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817    6.3852   -5.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027    2.8934   -2.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7476    1.9966   -3.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276    1.2210   -2.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1202    0.9943   -2.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5653   -1.4551   -4.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5539   -1.2588   -6.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1661   -4.1810   -5.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2451   -4.6009   -7.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5160   -4.5489   -6.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1476   -1.5877   -7.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3045   -3.1031   -8.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464   -2.6596   -6.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0943   -1.1269   -4.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2430   -3.2585    1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4924   -2.1014    1.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8903   -3.6982    1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 46  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2  1  1  0  0  0  0
  2 47  1  1  0  0  0
  3  4  1  0  0  0  0
  3 48  1  0  0  0  0
  3 49  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 50  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 45  1  1  0  0  0
  6  7  1  0  0  0  0
  6 51  1  0  0  0  0
  6 52  1  0  0  0  0
  7  8  1  0  0  0  0
  7 53  1  0  0  0  0
  7 54  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 55  1  6  0  0  0
  9 10  1  0  0  0  0
  9 56  1  0  0  0  0
  9 57  1  0  0  0  0
 10 11  1  0  0  0  0
 10 58  1  0  0  0  0
 11 12  1  0  0  0  0
 11 59  1  0  0  0  0
 11 60  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 61  1  1  0  0  0
 13 14  1  0  0  0  0
 13 62  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 63  1  0  0  0  0
 15 16  1  0  0  0  0
 15 64  1  0  0  0  0
 15 65  1  0  0  0  0
 16 17  1  0  0  0  0
 16 66  1  0  0  0  0
 16 67  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 68  1  0  0  0  0
 18 19  1  1  0  0  0
 19 69  1  0  0  0  0
 19 70  1  0  0  0  0
 19 71  1  0  0  0  0
 20 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 72  1  1  0  0  0
 21 22  1  0  0  0  0
 21 73  1  0  0  0  0
 21 74  1  0  0  0  0
 22 23  1  0  0  0  0
 22 75  1  0  0  0  0
 22 76  1  0  0  0  0
 23 24  1  0  0  0  0
 23 29  2  0  0  0  0
 24 25  1  0  0  0  0
 24 77  1  0  0  0  0
 25 26  1  0  0  0  0
 25 78  1  0  0  0  0
 25 79  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 80  1  0  0  0  0
 30 81  1  0  0  0  0
 30 82  1  0  0  0  0
 30 83  1  0  0  0  0
 31 84  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
 33 85  1  0  0  0  0
 34 35  1  0  0  0  0
 34 44  1  0  0  0  0
 34 86  1  0  0  0  0
 35 36  1  0  0  0  0
 35 43  1  0  0  0  0
 35 87  1  0  0  0  0
 36 37  1  0  0  0  0
 36 42  1  0  0  0  0
 36 88  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 89  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 40 90  1  0  0  0  0
 42 91  1  0  0  0  0
 43 92  1  0  0  0  0
 44 93  1  0  0  0  0
 45 94  1  0  0  0  0
 45 95  1  0  0  0  0
 45 96  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 866👍, 0💬