Molecule FYI-1004345

A

Molecule Summary:

ID: FYI-1004345
Names:
InChIKey: RKISUIUJZGSLEV-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC

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

Molecule ID: FYI-1004345 Edit

Molecule Structure InChIKey: RKISUIUJZGSLEV-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004345
FYIcenter.com

 42 41  0  0  0  0  0  0  0  0999 V2000
   47.2850    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.0726    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   40.0103    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7979    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731    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
   30.3108    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 N   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
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 N   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
   20.6114    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   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
   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
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004345-3D
FYIcenter.com

118117  0  0  0  0  0  0  0  0999 V2000
    2.3351   -5.4687    3.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8400   -5.4441    2.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060   -5.7608    1.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7141   -5.7350    1.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0699   -6.0522   -0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5767   -6.0258   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9312   -6.3407   -1.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   -6.3120   -2.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7922   -6.6268   -3.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2985   -6.5962   -3.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6538   -6.9130   -5.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1610   -6.8847   -5.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5170   -7.2000   -6.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0253   -7.1754   -6.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3832   -7.4914   -8.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8933   -7.4664   -8.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3086   -7.7817   -9.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8187   -7.7434  -10.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3640   -6.9522  -10.9029 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5184   -8.6443   -9.3381 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.9734   -8.6849   -9.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5262   -9.6598  -10.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9806   -9.6903  -10.4406 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7008  -10.0878   -9.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1760  -10.3879   -8.2534 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2135  -10.0784   -9.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7362   -8.6957   -9.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3966   -7.6433   -8.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9294   -6.2802   -9.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5892   -5.2327   -8.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1206   -3.8740   -8.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7781   -2.8323   -7.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3090   -1.4752   -7.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9659   -0.4356   -6.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4968    0.9209   -7.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1536    1.9604   -6.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6865    3.3167   -6.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3440    4.3578   -5.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8771    5.7158   -6.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5371    6.7593   -5.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0692    8.1232   -5.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7285    9.1619   -4.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0728   -5.2411    4.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9327   -6.4553    2.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8573   -4.7281    2.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3034   -6.1760    3.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2283   -4.4565    3.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7400   -5.0306    0.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8174   -6.7490    1.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1847   -6.4668    1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1071   -4.7474    1.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6019   -5.3210   -0.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6795   -7.0401   -0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0460   -6.7583    0.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9687   -5.0384   -0.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4616   -5.6092   -2.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5412   -7.3288   -2.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9073   -7.0435   -1.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8277   -5.3240   -1.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3212   -5.8962   -4.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032   -7.6155   -3.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7692   -7.3258   -2.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6869   -5.6070   -3.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1829   -6.1824   -5.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2629   -7.9014   -5.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6296   -7.6160   -4.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5500   -5.8965   -5.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0456   -6.4671   -7.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1229   -8.1869   -6.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4925   -7.9065   -6.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4154   -6.1880   -6.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9100   -6.7574   -9.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9873   -8.4788   -8.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3480   -8.1907   -7.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2805   -6.4805   -8.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8638   -7.0508  -10.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9411   -8.7729  -10.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0166   -9.2717   -8.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3124   -8.9486   -8.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3416   -7.6720   -9.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1770   -9.3847  -11.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1719  -10.6754  -10.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4782   -9.4722  -11.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4946  -10.8065  -10.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6718  -10.4062   -8.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3138   -8.3928  -10.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8242   -8.7379   -9.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8290   -7.9251   -7.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3100   -7.5798   -8.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4964   -5.9910  -10.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0165   -6.3286   -9.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0244   -5.5156   -7.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5021   -5.1792   -8.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6860   -3.5857   -9.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2082   -3.9221   -8.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2129   -3.1176   -6.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6907   -2.7812   -7.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8742   -1.1882   -8.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3965   -1.5246   -8.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4006   -0.7220   -5.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8784   -0.3856   -6.7967 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0621    1.2075   -8.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5843    0.8711   -7.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5872    1.6729   -5.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0661    2.0110   -6.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2528    3.6030   -7.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7739    3.2649   -6.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7774    4.0694   -4.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2564    4.4076   -5.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4420    6.0011   -7.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9642    5.6619   -6.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9694    6.4665   -4.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4493    6.8072   -4.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6356    8.4160   -6.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1564    8.0751   -5.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6443    9.2380   -4.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1109   10.1413   -4.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1720    8.8955   -3.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  2  3  1  0  0  0  0
  2 46  1  0  0  0  0
  2 47  1  0  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 50  1  0  0  0  0
  4 51  1  0  0  0  0
  5  6  1  0  0  0  0
  5 52  1  0  0  0  0
  5 53  1  0  0  0  0
  6  7  1  0  0  0  0
  6 54  1  0  0  0  0
  6 55  1  0  0  0  0
  7  8  1  0  0  0  0
  7 56  1  0  0  0  0
  7 57  1  0  0  0  0
  8  9  1  0  0  0  0
  8 58  1  0  0  0  0
  8 59  1  0  0  0  0
  9 10  1  0  0  0  0
  9 60  1  0  0  0  0
  9 61  1  0  0  0  0
 10 11  1  0  0  0  0
 10 62  1  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 64  1  0  0  0  0
 11 65  1  0  0  0  0
 12 13  1  0  0  0  0
 12 66  1  0  0  0  0
 12 67  1  0  0  0  0
 13 14  1  0  0  0  0
 13 68  1  0  0  0  0
 13 69  1  0  0  0  0
 14 15  1  0  0  0  0
 14 70  1  0  0  0  0
 14 71  1  0  0  0  0
 15 16  1  0  0  0  0
 15 72  1  0  0  0  0
 15 73  1  0  0  0  0
 16 17  1  0  0  0  0
 16 74  1  0  0  0  0
 16 75  1  0  0  0  0
 17 18  1  0  0  0  0
 17 76  1  0  0  0  0
 17 77  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 78  1  0  0  0  0
 21 22  1  0  0  0  0
 21 79  1  0  0  0  0
 21 80  1  0  0  0  0
 22 23  1  0  0  0  0
 22 81  1  0  0  0  0
 22 82  1  0  0  0  0
 23 24  1  0  0  0  0
 23 83  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 84  1  0  0  0  0
 26 85  1  0  0  0  0
 27 28  1  0  0  0  0
 27 86  1  0  0  0  0
 27 87  1  0  0  0  0
 28 29  1  0  0  0  0
 28 88  1  0  0  0  0
 28 89  1  0  0  0  0
 29 30  1  0  0  0  0
 29 90  1  0  0  0  0
 29 91  1  0  0  0  0
 30 31  1  0  0  0  0
 30 92  1  0  0  0  0
 30 93  1  0  0  0  0
 31 32  1  0  0  0  0
 31 94  1  0  0  0  0
 31 95  1  0  0  0  0
 32 33  1  0  0  0  0
 32 96  1  0  0  0  0
 32 97  1  0  0  0  0
 33 34  1  0  0  0  0
 33 98  1  0  0  0  0
 33 99  1  0  0  0  0
 34 35  1  0  0  0  0
 34100  1  0  0  0  0
 34101  1  0  0  0  0
 35 36  1  0  0  0  0
 35102  1  0  0  0  0
 35103  1  0  0  0  0
 36 37  1  0  0  0  0
 36104  1  0  0  0  0
 36105  1  0  0  0  0
 37 38  1  0  0  0  0
 37106  1  0  0  0  0
 37107  1  0  0  0  0
 38 39  1  0  0  0  0
 38108  1  0  0  0  0
 38109  1  0  0  0  0
 39 40  1  0  0  0  0
 39110  1  0  0  0  0
 39111  1  0  0  0  0
 40 41  1  0  0  0  0
 40112  1  0  0  0  0
 40113  1  0  0  0  0
 41 42  1  0  0  0  0
 41114  1  0  0  0  0
 41115  1  0  0  0  0
 42116  1  0  0  0  0
 42117  1  0  0  0  0
 42118  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 1425👍, 0💬