Molecule Editor

Molecule ID: FYI-1014903 Edit

Molecule Structure InChIKey: XWYMWLGPGRAJLM-NULCOVKLSA-N

Molecule Structure SMILES String: CC[C@H](N)C(=O)N[C@H]4CCCC3CCC(C(=O)NC(c1ccccc1)c2ccccc2)N3C4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014903
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
    7.2596    3.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0574    2.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0574    1.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2596    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620    1.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620    2.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6644    3.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875    2.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3585    1.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2876    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6455    0.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0746    1.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1455    2.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6644    4.5565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3960    5.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3960    6.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1278    4.5565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5191    7.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0902    8.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7018    8.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2729    7.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9525    6.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7501    7.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3212    8.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1372   10.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5255   10.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6713    6.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8075    5.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3752    7.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961    6.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1579    8.5860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5134    4.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    4.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8  9  2  0  0  0  0
 13  8  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 18  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  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 20  1  1  0  0  0
 22 28  2  0  0  0  0
 23 27  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 33  1  6  0  0  0
 33 34  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014903-3D
FYIcenter.com

 68 71  0  0  1  0  0  0  0  0999 V2000
    6.4562    1.3430    2.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7910    0.6417    2.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7045   -0.5886    1.6046 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0566   -1.1834    1.5293 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2026   -0.2188    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0548    0.9472   -0.1736 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9597   -1.2785   -0.6824 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3820   -1.0016   -2.0221 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3919   -0.2260   -2.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6511    0.6496   -3.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4574   -0.1011   -5.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5779   -1.3388   -5.0378 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4854   -2.0497   -6.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9221   -3.3969   -5.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8147   -3.7294   -4.7749 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1061   -4.4774   -5.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1002   -5.1207   -6.3425 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2419   -4.6029   -4.5191 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4454   -4.2131   -3.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542   -5.1818   -2.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1564   -5.0364   -0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4550   -5.7388    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185   -6.5935   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1055   -6.7716   -1.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300   -6.0918   -2.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433   -3.6738   -2.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9616   -2.5036   -2.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1913   -1.9567   -1.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3483   -2.5842   -2.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2610   -3.7403   -2.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0210   -4.2841   -3.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9996   -2.4078   -4.1179 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8857   -2.2989   -2.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4644   -3.2291   -2.0342 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4994    1.9438    3.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6348    0.6281    2.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2244    2.0300    1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1805    0.3272    3.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5034    1.3778    2.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0177   -1.3275    2.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7271   -0.4535    1.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991   -1.8760    0.7852 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8551   -2.2186   -0.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4851   -0.4062   -1.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0770   -0.9000   -3.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0427    0.4118   -2.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    1.5575   -4.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6837    0.9773   -3.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4383   -0.3660   -5.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9888    0.5829   -5.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730   -1.0349   -4.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4836   -2.1861   -6.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649   -1.5160   -7.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9390   -4.1281   -6.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8779   -3.2741   -5.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2749   -4.4211   -4.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9268   -5.2192   -4.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8487   -3.3232   -3.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9244   -4.3449   -0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7010   -5.5906    1.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485   -7.1117    0.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -7.4122   -1.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5223   -6.2525   -3.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0777   -2.0064   -1.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2375   -1.0519   -1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3168   -2.1795   -1.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1731   -4.2244   -3.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9902   -5.1868   -3.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2 38  1  0  0  0  0
  2 39  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  3 40  1  1  0  0  0
  4 41  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8  7  1  0  0  0  0
  8 44  1  1  0  0  0
  9 10  1  0  0  0  0
  9 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
 10 48  1  0  0  0  0
 11 12  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 56  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 19 58  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 59  1  0  0  0  0
 22 23  1  0  0  0  0
 22 60  1  0  0  0  0
 23 24  2  0  0  0  0
 23 61  1  0  0  0  0
 24 25  1  0  0  0  0
 24 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 27 28  2  0  0  0  0
 27 64  1  0  0  0  0
 28 29  1  0  0  0  0
 28 65  1  0  0  0  0
 29 30  2  0  0  0  0
 29 66  1  0  0  0  0
 30 31  1  0  0  0  0
 30 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
$$$$