Molecule FYI-1012123

A

Molecule Summary:

ID: FYI-1012123
Names:
InChIKey: GBJVAVGBSGRRKN-UHFFFAOYSA-N
SMILES: COC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)OC)C(=O)CF)C(C)C

Received at FYIcenter.com on: 2024-08-16

Molecule ID: FYI-1012123 Edit

Molecule Structure InChIKey: GBJVAVGBSGRRKN-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)OC)C(=O)CF)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1012123
FYIcenter.com

 47 47  0  0  0  0  0  0  0  0999 V2000
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  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  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  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 21  1  0  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 33  1  0  0  0  0
 36 35  1  0  0  0  0
 37 31  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  0  0  0  0
 47 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012123-3D
FYIcenter.com

 88 88  0  0  1  0  0  0  0  0999 V2000
    1.1484   -0.7365   -2.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -0.7517   -2.2664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391   -0.8091   -0.9587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1791   -0.8347   -0.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4479   -0.7919   -0.8354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0817   -2.0092   -1.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6238   -2.0636   -1.4149 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0576   -2.0399   -0.0116 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2693   -1.5140    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0020   -0.8960   -0.3815 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5939   -1.6875    1.8959 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1060   -1.7552    2.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6775   -2.9205    1.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0052   -3.7830    0.8299 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0361   -2.8821    1.3743 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6217   -3.8905    0.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0132   -0.5885    2.6674 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5816   -0.7613    3.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6032   -1.8315    4.5403 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0779    0.3972    4.4392 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1458    0.2378    5.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5973    0.8388    6.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8481    1.8622    7.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1663    2.3246    8.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2401    1.7707    9.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0029    0.7659    8.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6866    0.3027    7.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1142   -3.3474   -2.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3244   -4.1063   -2.7293 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746   -3.5655   -2.2229 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0421   -4.6660   -3.0245 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8771   -4.0438   -4.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5778   -3.0458   -4.0131 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8546   -4.7510   -5.3516 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6342   -4.3607   -6.5294 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0647   -4.9051   -6.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1151   -6.4133   -6.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500   -7.1190   -7.1413 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1582   -6.8611   -5.7521 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2905   -8.2822   -5.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8534   -4.7807   -7.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7998   -5.4217   -7.7046 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4440   -4.3961   -9.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1491   -3.2320   -9.0382 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9287   -5.6180   -2.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1478   -6.2270   -1.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5113   -6.7779   -3.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9645   -0.7794   -3.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7204    0.1937   -2.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717   -1.6063   -2.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6812   -0.7837    0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8202    0.1463   -1.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7902   -2.0304   -2.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6533   -2.9175   -1.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0504   -1.1973   -1.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5568   -2.6335    0.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1329   -2.6251    2.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3262   -1.8929    3.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5912   -0.8355    1.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7063   -3.7659    0.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2851   -3.7708   -0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3752   -4.8912    0.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9952    0.3514    2.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8616   -0.8081    5.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2287    0.7396    5.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9858    2.2894    6.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5631    3.0998    9.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4736    2.1135   10.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8333    0.3255    9.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2710   -0.5056    7.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0992   -2.8032   -1.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2256   -5.2426   -3.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1320   -5.4539   -5.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6745   -3.2646   -6.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5592   -4.5462   -5.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6503   -4.5550   -7.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4632   -8.5082   -4.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1612   -8.6111   -6.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4050   -8.8360   -5.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6431   -4.2539   -9.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1246   -5.1801   -9.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7711   -5.0485   -1.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2598   -6.7616   -1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8118   -5.4656   -0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7720   -6.9344   -0.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7198   -7.3861   -3.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1210   -7.4338   -2.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1669   -6.4190   -3.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 48  1  0  0  0  0
  1 49  1  0  0  0  0
  1 50  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 51  1  0  0  0  0
  5 52  1  0  0  0  0
  6  7  1  0  0  0  0
  6 53  1  0  0  0  0
  6 54  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  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
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 57  1  0  0  0  0
 12 13  1  0  0  0  0
 12 58  1  0  0  0  0
 12 59  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 16 62  1  0  0  0  0
 17 18  1  0  0  0  0
 17 63  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
 21 22  1  0  0  0  0
 21 64  1  0  0  0  0
 21 65  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 66  1  0  0  0  0
 24 25  1  0  0  0  0
 24 67  1  0  0  0  0
 25 26  2  0  0  0  0
 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
 26 69  1  0  0  0  0
 27 70  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 71  1  0  0  0  0
 31 32  1  0  0  0  0
 31 45  1  0  0  0  0
 31 72  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 73  1  0  0  0  0
 35 36  1  0  0  0  0
 35 41  1  0  0  0  0
 35 74  1  0  0  0  0
 36 37  1  0  0  0  0
 36 75  1  0  0  0  0
 36 76  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 77  1  0  0  0  0
 40 78  1  0  0  0  0
 40 79  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 80  1  0  0  0  0
 43 81  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 45 82  1  0  0  0  0
 46 83  1  0  0  0  0
 46 84  1  0  0  0  0
 46 85  1  0  0  0  0
 47 86  1  0  0  0  0
 47 87  1  0  0  0  0
 47 88  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-12, 1430👍, 0💬