Molecule FYI-1004269

A

Molecule Summary:

ID: FYI-1004269
Names:
InChIKey: WWKUISCUIVGTRI-UHFFFAOYSA-N
SMILES: CCc1ccccc1N(CC(=O)NC2CCCCC2)C(=O)Cc3ccc(C(=O)NO)cc3

Received at FYIcenter.com on: 2023-08-24

Molecule ID: FYI-1004269 Edit

Molecule Structure InChIKey: WWKUISCUIVGTRI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1ccccc1N(CC(=O)NC2CCCCC2)C(=O)Cc3ccc(C(=O)NO)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004269
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    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
    9.6996    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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  8  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  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  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
 23 18  1  0  0  0  0
 24 16  2  0  0  0  0
 25 14  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004269-3D
FYIcenter.com

 63 65  0  0  0  0  0  0  0  0999 V2000
    0.2956   -0.5964   -2.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0214   -1.8556   -2.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386   -2.0685   -2.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5186   -1.9030   -2.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780   -1.9816   -2.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820   -2.1936   -0.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7270   -2.3623   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4493   -2.3345   -0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3026   -2.6717    0.0981 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7638   -4.0227   -0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7329   -4.1323   -0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654   -3.1659   -0.6827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1702   -5.4443   -0.5958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5463   -5.8089   -0.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3817   -6.0434    0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7947   -6.5223    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7754   -7.7709   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9545   -7.5467   -2.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5415   -7.0598   -1.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1428   -2.0381    1.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8269   -1.0703    1.6997 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0623   -2.5528    2.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5134   -3.5674    3.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870   -3.5101    3.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1330   -4.3667    4.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2006   -5.2852    5.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4856   -6.1354    6.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5805   -6.5489    7.3625 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -6.4537    6.8759 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0246   -7.3635    7.9376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0686   -5.3551    4.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4070   -4.5076    3.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5667   -0.4054   -2.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9504    0.2809   -2.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0736   -0.6904   -1.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2001   -1.7635   -3.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853   -2.7372   -2.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4608   -1.6933   -3.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6733   -1.8585   -2.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8604   -2.2311   -0.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8399   -2.5330    0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9529   -4.6297    0.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3129   -4.4904   -0.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5488   -6.1885   -0.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9930   -4.9788   -1.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4389   -5.1214    0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8909   -6.7904    0.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3391   -5.7230   -0.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3452   -6.7333    0.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8000   -8.0513   -1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3546   -8.6106   -0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4603   -6.8110   -2.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9003   -8.4797   -2.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0109   -6.8473   -2.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9892   -7.8677   -1.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7896   -2.9409    1.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3304   -1.6795    2.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5126   -2.7620    3.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1113   -4.2514    5.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5193   -6.4191    6.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1215   -7.4653    8.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8118   -6.0499    5.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4153   -4.5574    3.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  2  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  2  0  0  0  0
 24 25  2  0  0  0  0
 24 58  1  0  0  0  0
 25 26  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 32  1  0  0  0  0
 31 62  1  0  0  0  0
 32 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 1680👍, 0💬