Molecule FYI-1007560

A

Molecule Summary:

ID: FYI-1007560
Names:
InChIKey: YPHMISFOHDHNIV-UHFFFAOYSA-N
SMILES: CC2CC(C)C(=O)C(C(O)CC1CC(=O)NC(=O)C1)C2

Received at FYIcenter.com on: 2024-03-01

Molecule ID: FYI-1007560 Edit

Molecule Structure InChIKey: YPHMISFOHDHNIV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2CC(C)C(=O)C(C(O)CC1CC(=O)NC(=O)C1)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007560
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   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
    2.4249    0.0000    0.0000 O   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  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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  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  2  0  0  0  0
 17 15  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
 20 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007560-3D
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
   -0.6396    2.4644    0.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5877    1.9160   -0.4427 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6568   -0.3668   -1.5810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2096   -1.7550    2.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4160   -1.0328    0.2414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5674    0.7284   -0.9362 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7582   -1.7792   -0.4484 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4248   -0.6948   -1.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425    1.1168    0.0177 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3284   -0.1780    0.7449 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1724   -1.5615    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9154    0.9019   -0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9226    0.9935   -0.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680    1.4095    0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6362   -3.1691   -1.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7606    0.0276    1.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248    1.3308   -0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015    0.5801    1.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8813   -0.0891   -0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526   -0.8428    1.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5658    1.4213   -1.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4495   -0.8791   -1.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1401   -0.7965   -2.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0382   -1.7232    0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4930    0.4887    0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6604   -0.0944    1.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3955   -2.3344    0.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9051   -1.6819   -0.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025   -0.0285   -1.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9454    1.6401   -1.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.4589    0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3322   -3.2941   -1.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6213   -3.3376   -1.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8527   -3.9469   -0.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4729   -0.0011    0.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0434   -0.7478    1.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8687    0.9992    1.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909    1.8167    0.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3926    1.8547   -1.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1534    0.5779    2.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8355    1.0214    2.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131    2.4878    1.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7360   -1.9860    0.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 42  1  0  0  0  0
  2 12  2  0  0  0  0
  3 19  2  0  0  0  0
  4 20  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 43  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 24  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 1059👍, 0💬