Molecule FYI-1004346

A

Molecule Summary:

ID: FYI-1004346
Names:
InChIKey: NGQRCILAEXOBRL-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCC

Received at FYIcenter.com on: 2023-08-31

Molecule ID: FYI-1004346 Edit

Molecule Structure InChIKey: NGQRCILAEXOBRL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004346
FYIcenter.com

 40 39  0  0  0  0  0  0  0  0999 V2000
   44.8601    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6477    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4353    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2229    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0104    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7980    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5856    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3732    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   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
  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
 19 18  2  0  0  0  0
 20 18  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  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  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 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
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004346-3D
FYIcenter.com

112111  0  0  0  0  0  0  0  0999 V2000
    1.4975  -20.2877   -4.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0104  -20.1962   -4.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4598  -18.8007   -5.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9765  -18.7067   -5.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4150  -17.3106   -5.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9299  -17.2176   -5.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667  -15.8231   -5.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8811  -15.7317   -5.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3183  -14.3377   -6.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8328  -14.2460   -6.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708  -12.8512   -6.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7861  -12.7571   -6.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2248  -11.3601   -7.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7415  -11.2582   -7.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1825   -9.8559   -7.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7016   -9.7565   -7.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1974   -8.3753   -7.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7196   -8.3222   -7.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3129   -7.5342   -7.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3616   -9.2166   -8.6802 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8198   -9.2668   -8.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4307  -10.2416   -7.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8833  -10.2777   -7.7994 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.5256  -11.1767   -8.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9047  -11.9511   -9.3708 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0429  -11.1499   -8.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5603  -11.4775   -7.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0820  -11.4631   -7.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5475  -11.7882   -5.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0662  -11.7745   -5.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5278  -12.0987   -4.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0449  -12.0832   -4.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5056  -12.4070   -2.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0218  -12.3913   -2.6867 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4813  -12.7133   -1.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9977  -12.6979   -1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4587  -13.0201    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9767  -13.0030    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4486  -13.3266    1.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9629  -13.3089    1.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1758  -21.2904   -4.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1078  -20.0769   -5.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0600  -19.5661   -4.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4318  -20.9392   -5.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3843  -20.4308   -3.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382  -18.0566   -4.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0834  -18.5641   -6.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030  -19.4459   -5.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3578  -18.9381   -4.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9908  -16.5691   -4.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0359  -17.0769   -6.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3559  -17.9585   -6.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3105  -17.4484   -4.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9408  -15.0810   -5.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9885  -15.5918   -6.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3073  -16.4736   -6.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2595  -15.9627   -4.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8910  -13.5958   -5.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9411  -14.1073   -7.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2595  -14.9874   -6.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2095  -14.4782   -5.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8415  -12.1106   -6.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8938  -12.6204   -7.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2131  -13.4984   -7.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1609  -12.9909   -5.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7947  -10.6226   -6.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8446  -11.1293   -8.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1673  -12.0010   -7.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1175  -11.4946   -6.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7504   -9.1214   -6.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8004   -9.6287   -8.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1132  -10.5094   -8.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0725   -9.9995   -6.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8005   -7.6140   -7.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8500   -8.1176   -8.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8147   -9.8399   -9.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1967   -8.2562   -8.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1068   -9.5364   -9.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0525  -11.2527   -7.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1404   -9.9743   -6.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4516   -9.6712   -7.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3907  -10.1598   -8.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4281  -11.8817   -9.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1905  -12.4624   -6.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1634  -10.7544   -6.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4636  -10.4774   -7.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4992  -12.1970   -7.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1728  -12.7743   -5.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1374  -11.0571   -5.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4458  -10.7890   -5.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4813  -12.5074   -6.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1526  -13.0849   -3.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1172  -11.3666   -3.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4223  -11.0973   -4.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4578  -12.8156   -4.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.1294  -13.3931   -2.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.0939  -11.6747   -2.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.3985  -11.4057   -2.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.4338  -13.1246   -3.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.1037  -13.6987   -0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.0683  -11.9797   -0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.3738  -11.7122   -1.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.4092  -13.4311   -1.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.0815  -14.0060    0.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.0439  -12.2871    0.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.3489  -12.0160   -0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.3867  -13.7333   -0.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.0779  -14.3137    1.9811 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.0400  -12.5955    2.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.3879  -14.0489    1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.3008  -13.5415    2.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.3499  -12.3229    1.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  2 44  1  0  0  0  0
  2 45  1  0  0  0  0
  3  4  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 50  1  0  0  0  0
  5 51  1  0  0  0  0
  6  7  1  0  0  0  0
  6 52  1  0  0  0  0
  6 53  1  0  0  0  0
  7  8  1  0  0  0  0
  7 54  1  0  0  0  0
  7 55  1  0  0  0  0
  8  9  1  0  0  0  0
  8 56  1  0  0  0  0
  8 57  1  0  0  0  0
  9 10  1  0  0  0  0
  9 58  1  0  0  0  0
  9 59  1  0  0  0  0
 10 11  1  0  0  0  0
 10 60  1  0  0  0  0
 10 61  1  0  0  0  0
 11 12  1  0  0  0  0
 11 62  1  0  0  0  0
 11 63  1  0  0  0  0
 12 13  1  0  0  0  0
 12 64  1  0  0  0  0
 12 65  1  0  0  0  0
 13 14  1  0  0  0  0
 13 66  1  0  0  0  0
 13 67  1  0  0  0  0
 14 15  1  0  0  0  0
 14 68  1  0  0  0  0
 14 69  1  0  0  0  0
 15 16  1  0  0  0  0
 15 70  1  0  0  0  0
 15 71  1  0  0  0  0
 16 17  1  0  0  0  0
 16 72  1  0  0  0  0
 16 73  1  0  0  0  0
 17 18  1  0  0  0  0
 17 74  1  0  0  0  0
 17 75  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 76  1  0  0  0  0
 21 22  1  0  0  0  0
 21 77  1  0  0  0  0
 21 78  1  0  0  0  0
 22 23  1  0  0  0  0
 22 79  1  0  0  0  0
 22 80  1  0  0  0  0
 23 24  1  0  0  0  0
 23 81  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  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 28  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
 28 87  1  0  0  0  0
 29 30  1  0  0  0  0
 29 88  1  0  0  0  0
 29 89  1  0  0  0  0
 30 31  1  0  0  0  0
 30 90  1  0  0  0  0
 30 91  1  0  0  0  0
 31 32  1  0  0  0  0
 31 92  1  0  0  0  0
 31 93  1  0  0  0  0
 32 33  1  0  0  0  0
 32 94  1  0  0  0  0
 32 95  1  0  0  0  0
 33 34  1  0  0  0  0
 33 96  1  0  0  0  0
 33 97  1  0  0  0  0
 34 35  1  0  0  0  0
 34 98  1  0  0  0  0
 34 99  1  0  0  0  0
 35 36  1  0  0  0  0
 35100  1  0  0  0  0
 35101  1  0  0  0  0
 36 37  1  0  0  0  0
 36102  1  0  0  0  0
 36103  1  0  0  0  0
 37 38  1  0  0  0  0
 37104  1  0  0  0  0
 37105  1  0  0  0  0
 38 39  1  0  0  0  0
 38106  1  0  0  0  0
 38107  1  0  0  0  0
 39 40  1  0  0  0  0
 39108  1  0  0  0  0
 39109  1  0  0  0  0
 40110  1  0  0  0  0
 40111  1  0  0  0  0
 40112  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 2985👍, 0💬