Molecule FYI-1010506

A

Molecule Summary:

ID: FYI-1010506
Names:
InChIKey: CIBPVPQZWVLRER-UHFFFAOYSA-N
SMILES: NCCCCCCNC(=O)c2ccc(C(=O)NCCCCCCNC(=O)c1ccc(C(=O)O)cc1)cc2

Received at FYIcenter.com on: 2024-06-11

Molecule ID: FYI-1010506 Edit

Molecule Structure InChIKey: CIBPVPQZWVLRER-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCCCNC(=O)c2ccc(C(=O)NCCCCCCNC(=O)c1ccc(C(=O)O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1010506
FYIcenter.com

 37 38  0  0  0  0  0  0  0  0999 V2000
    7.2749    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    9.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   10.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749   11.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873   10.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    9.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997   11.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122   10.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    9.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    6.9997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   12.5997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   13.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   14.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   15.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242   16.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5489   19.6001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5488   21.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612   21.7002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3363   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3362   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1237   23.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9113   23.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9114   21.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1239   20.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6988   23.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6987   25.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4865   23.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 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 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 29 30  2  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010506-3D
FYIcenter.com

 75 76  0  0  0  0  0  0  0  0999 V2000
    6.7103   -7.1788  -10.3238 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2993   -6.2969   -9.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -6.7924   -7.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4223   -5.8748   -6.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9784   -6.3676   -5.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5600   -5.4521   -4.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1033   -5.9400   -2.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5561   -5.9774   -2.8848 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2950   -4.8717   -2.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7832   -3.8225   -2.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7841   -4.9861   -2.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4270   -5.8083   -3.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8308   -5.8107   -3.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6093   -4.9950   -2.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1063   -5.0179   -2.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6667   -5.3396   -3.8979 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7952   -4.6878   -1.7036 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2445   -4.6262   -1.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7816   -3.2399   -2.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2713   -2.1565   -1.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8132   -0.7792   -1.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2870    0.2989   -0.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8249    1.6750   -0.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3296    2.7056    0.0227 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1525    3.3803   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4552    3.1319   -1.2275 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7377    4.4530    0.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6608    5.1794    1.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2556    6.2445    2.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9004    6.6057    2.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3815    7.7200    3.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3975    8.3670    2.8472 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292    7.9203    4.3302 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9770    5.9105    1.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3839    4.8262    0.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9595   -4.1440   -1.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5628   -4.1603   -1.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2925   -6.8628  -11.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3539   -8.1184  -10.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2041   -6.2596   -9.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6604   -5.2838   -9.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9501   -6.8319   -7.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5020   -7.8123   -7.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3274   -5.8347   -6.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7764   -4.8544   -6.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0720   -6.4104   -5.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6244   -7.3877   -5.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4638   -5.4120   -4.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9065   -4.4304   -4.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7378   -6.9504   -2.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7452   -5.2794   -2.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0159   -6.8545   -3.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8485   -6.4276   -4.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3040   -6.4483   -4.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2962   -4.4222   -0.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6595   -5.3775   -2.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5464   -4.8870   -0.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4904   -2.9956   -3.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8743   -3.2670   -1.9935 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5670   -2.4001   -0.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1754   -2.1257   -1.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5177   -0.5373   -2.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9098   -0.7932   -1.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5755    0.0545    0.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1883    0.3081   -0.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5425    1.9259   -1.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9193    1.6890   -0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8035    2.8384    0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7316    4.9503    1.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0139    6.8174    2.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7402    7.3004    4.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9319    6.2198    1.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6452    4.2826    0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5230   -3.4311   -1.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0892   -3.5089   -1.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2 40  1  0  0  0  0
  2 41  1  0  0  0  0
  3  4  1  0  0  0  0
  3 42  1  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4 44  1  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
  5 46  1  0  0  0  0
  5 47  1  0  0  0  0
  6  7  1  0  0  0  0
  6 48  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  1  0  0  0  0
  7 50  1  0  0  0  0
  7 51  1  0  0  0  0
  8  9  1  0  0  0  0
  8 52  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  2  0  0  0  0
 12 13  2  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 13 54  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 21  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 22  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 23  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 24  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 25  1  0  0  0  0
 24 68  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 35  2  0  0  0  0
 28 29  2  0  0  0  0
 28 69  1  0  0  0  0
 29 30  1  0  0  0  0
 29 70  1  0  0  0  0
 30 31  1  0  0  0  0
 30 34  2  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 71  1  0  0  0  0
 34 35  1  0  0  0  0
 34 72  1  0  0  0  0
 35 73  1  0  0  0  0
 36 37  1  0  0  0  0
 36 74  1  0  0  0  0
 37 75  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-30, 1266👍, 0💬