Molecule Editor

Molecule ID: FYI-1007109 Edit

Molecule Structure InChIKey: NIUYSXZBCKOGNM-XYPUQJIVSA-N

Molecule Structure SMILES String: C=C(O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC2CCCCC2)NC(=O)[C@H](Cc3cccc4ccccc34)NC(=O)[C@H](CC(C)C)NC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007109
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
    8.5135   14.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5034   13.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1411   11.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8558   13.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2181   14.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2282   15.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5906   17.3068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8759   15.5921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8457   12.6223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4834   11.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1311   10.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4734   10.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8561   10.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917    9.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5018    8.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2544    8.8972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0069    8.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8328    9.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9336    6.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1079    6.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3553    6.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5294    5.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4561    4.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6302    3.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8777    4.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9510    5.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7767    6.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6862    6.2280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5121    6.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854    8.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2648    6.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1915    4.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3656    4.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6130    4.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7871    4.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7138    2.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4664    2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2923    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0449    2.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9717    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3932    0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0905    7.1174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    6.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    5.0837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690    7.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7423    8.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9897    9.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1638    8.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0629   10.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    6.6087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474    7.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    8.7693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  4  9  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  6  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
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  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
 27 22  1  0  0  0  0
 19 28  1  6  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 38 33  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 42 37  1  0  0  0  0
 31 43  1  6  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 44  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
 50 48  1  0  0  0  0
 46 51  1  1  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 52  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007109-3D
FYIcenter.com

111114  0  0  1  0  0  0  0  0999 V2000
    0.9625    7.4090   -3.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9825    6.1862   -4.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4563    6.0169   -5.4727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4177    4.9037   -3.4959 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7008    4.2071   -4.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7244    3.4742   -5.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7222    2.8396   -5.7077 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290    3.5254   -6.0966 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454    4.0268   -3.4762 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2570    2.8688   -2.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2899    2.3961   -2.2601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    2.1410   -2.5580 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5119    1.6252   -3.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9197    1.1166   -3.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402    1.9956   -2.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3072    2.8174   -2.0959 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5685    3.7784   -1.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336    3.9500   -0.7218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4527    4.7595   -0.5642 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3075    3.9955    0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7212    3.2598    1.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4057    2.4430    2.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9514    1.3059    1.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9378    0.4090    1.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3153   -0.1668    3.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8124    0.9436    4.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1542    1.8746    3.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9470    5.8768    0.3593 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    7.1985    0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7248    7.4924   -0.6379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295    8.3657    1.3665 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5752    8.8197    2.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0289    7.9166    3.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766    6.7700    3.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2129    5.9365    4.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267    6.1862    5.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7788    7.2735    4.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0575    7.4599    5.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8413    8.5527    4.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3442    9.5261    4.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895    9.3582    3.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2895    8.2049    3.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0952    8.3461    2.3530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5066    9.4057    3.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9204   10.4928    3.2498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8240    9.1610    4.0675 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7450    9.3803    5.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7988    8.5248    6.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3513    8.6530    6.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8810    8.9499    8.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3868    7.8509    3.7419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2117    7.4510    2.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8115    8.3923    1.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4099    6.2405    2.6498 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800    8.2881   -4.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836    7.5812   -2.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2081    6.9007   -5.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6122    5.1607   -2.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5316    4.9186   -4.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9794    3.4410   -3.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9325    4.1107   -5.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6585    4.4511   -3.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8914    1.2826   -1.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8459    0.8608   -4.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5564    2.4468   -4.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8961    0.0603   -3.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5487    1.1970   -4.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7983    1.3635   -1.7256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2578    2.6439   -2.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0768    5.2496   -1.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0611    3.2212   -0.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5339    4.6732    0.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5427    2.5764    1.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049    3.9895    2.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2368    3.1216    2.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652    1.7150    0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1215    0.6916    0.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8342    0.9852    2.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2636   -0.4079    1.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0509   -0.7804    3.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826   -0.8286    2.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6629    1.5210    4.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3101    0.5025    4.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240    2.6995    4.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0813    1.3241    3.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208    5.5642    1.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2228    9.1899    0.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1781    8.9284    1.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7098    9.8148    2.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414    6.5198    3.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8242    5.1043    4.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3675    5.5141    5.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4483    6.7250    5.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142    8.6817    5.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9349   10.4232    3.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307   10.1574    2.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    7.6237    2.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5604    9.9031    3.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083   10.4361    5.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7570    9.2342    6.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0982    7.4701    6.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0755    9.7011    5.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2131    8.1150    5.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6597    8.2245    6.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6262   10.0081    8.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1780    8.3731    8.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8807    8.7879    8.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0038    7.0655    4.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6686    9.4440    1.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8873    8.1896    1.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3575    8.1668    0.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 55  1  0  0  0  0
  1 56  1  0  0  0  0
  2  3  1  0  0  0  0
  3 57  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  2  1  0  0  0  0
  4 58  1  1  0  0  0
  5  6  1  0  0  0  0
  5 59  1  0  0  0  0
  5 60  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 61  1  0  0  0  0
  9 10  1  0  0  0  0
  9 62  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 63  1  1  0  0  0
 13 14  1  0  0  0  0
 13 64  1  0  0  0  0
 13 65  1  0  0  0  0
 14 15  1  0  0  0  0
 14 66  1  0  0  0  0
 14 67  1  0  0  0  0
 15 16  1  0  0  0  0
 15 68  1  0  0  0  0
 15 69  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 17  1  0  0  0  0
 19 70  1  6  0  0  0
 20 21  1  0  0  0  0
 20 71  1  0  0  0  0
 20 72  1  0  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 27  1  0  0  0  0
 22 75  1  0  0  0  0
 23 24  1  0  0  0  0
 23 76  1  0  0  0  0
 23 77  1  0  0  0  0
 24 25  1  0  0  0  0
 24 78  1  0  0  0  0
 24 79  1  0  0  0  0
 25 26  1  0  0  0  0
 25 80  1  0  0  0  0
 25 81  1  0  0  0  0
 26 27  1  0  0  0  0
 26 82  1  0  0  0  0
 26 83  1  0  0  0  0
 27 84  1  0  0  0  0
 27 85  1  0  0  0  0
 28 29  1  0  0  0  0
 28 86  1  0  0  0  0
 29 30  2  0  0  0  0
 31 43  1  0  0  0  0
 31 32  1  0  0  0  0
 31 29  1  0  0  0  0
 31 87  1  6  0  0  0
 32 33  1  0  0  0  0
 32 88  1  0  0  0  0
 32 89  1  0  0  0  0
 33 34  1  0  0  0  0
 33 42  2  0  0  0  0
 34 35  2  0  0  0  0
 34 90  1  0  0  0  0
 35 36  1  0  0  0  0
 35 91  1  0  0  0  0
 36 37  2  0  0  0  0
 36 92  1  0  0  0  0
 37 38  1  0  0  0  0
 37 42  1  0  0  0  0
 38 39  2  0  0  0  0
 38 93  1  0  0  0  0
 39 40  1  0  0  0  0
 39 94  1  0  0  0  0
 40 41  2  0  0  0  0
 40 95  1  0  0  0  0
 41 42  1  0  0  0  0
 41 96  1  0  0  0  0
 43 44  1  0  0  0  0
 43 97  1  0  0  0  0
 44 45  2  0  0  0  0
 46 51  1  0  0  0  0
 46 47  1  0  0  0  0
 46 44  1  0  0  0  0
 46 98  1  6  0  0  0
 47 48  1  0  0  0  0
 47 99  1  0  0  0  0
 47100  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48101  1  0  0  0  0
 49102  1  0  0  0  0
 49103  1  0  0  0  0
 49104  1  0  0  0  0
 50105  1  0  0  0  0
 50106  1  0  0  0  0
 50107  1  0  0  0  0
 51 52  1  0  0  0  0
 51108  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  2  0  0  0  0
 53109  1  0  0  0  0
 53110  1  0  0  0  0
 53111  1  0  0  0  0
M  END
$$$$