Molecule FYI-1003362

A

Molecule Summary:

ID: FYI-1003362
Names:
InChIKey: VZOOSCFZNRMQFH-UHFFFAOYSA-N
SMILES: [CH2:79]=[C:6]([CH3:78])[c:4]2[cH:17][cH:18][c:19]([C:3](=O)[C:1]1(C)[CH2:58][N:8]([C:10](=[O:57])[O:56][C:16]([CH3:46])([CH3:47])[CH3:44])[CH2:5]1)[cH:20][cH:15]2

Received at FYIcenter.com on: 2023-06-06

Molecule ID: FYI-1003362 Edit

Molecule Structure InChIKey: VZOOSCFZNRMQFH-UHFFFAOYSA-N

Molecule Structure SMILES String: [CH2:79]=[C:6]([CH3:78])[c:4]2[cH:17][cH:18][c:19]([C:3](=O)[C:1]1(C)[CH2:58][N:8]([C:10](=[O:57])[O:56][C:16]([CH3:46])([CH3:47])[CH3:44])[CH2:5]1)[cH:20][cH:15]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003362
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.2123    1.4085    0.0000 C   0  0  0  0  0  0  0  0  0 15  0  0
   11.4278    2.1061    0.0000 C   0  0  0  0  0  0  0  0  0  4  0  0
   11.4278    3.5145    0.0000 C   0  0  0  0  0  0  0  0  0 17  0  0
   10.2123    4.2121    0.0000 C   0  0  0  0  0  0  0  0  0 18  0  0
    9.0040    3.5145    0.0000 C   0  0  0  0  0  0  0  0  0 19  0  0
    9.0040    2.1061    0.0000 C   0  0  0  0  0  0  0  0  0 20  0  0
    7.7888    5.6068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7888    4.2121    0.0000 C   0  0  0  0  0  0  0  0  0  3  0  0
    6.5735    3.5145    0.0000 C   0  0  0  0  0  0  0  0  0  1  0  0
    5.2203    3.8669    0.0000 C   0  0  0  0  0  0  0  0  0  5  0  0
    4.8543    2.5134    0.0000 N   0  0  0  0  0  0  0  0  0  8  0  0
    3.6458    1.8161    0.0000 C   0  0  0  0  0  0  0  0  0 10  0  0
    2.4307    2.5134    0.0000 O   0  0  0  0  0  0  0  0  0 56  0  0
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    1.9195    0.6076    0.0000 C   0  0  0  0  0  0  0  0  0 44  0  0
    0.0000    1.1186    0.0000 C   0  0  0  0  0  0  0  0  0 47  0  0
    0.5179    3.0314    0.0000 C   0  0  0  0  0  0  0  0  0 46  0  0
    6.2075    2.1613    0.0000 C   0  0  0  0  0  0  0  0  0 58  0  0
    6.3871    4.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6430    1.4017    0.0000 C   0  0  0  0  0  0  0  0  0  6  0  0
   13.8513    2.1061    0.0000 C   0  0  0  0  0  0  0  0  0 78  0  0
   12.6430    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0 79  0  0
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  9 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003362-3D
FYIcenter.com

 48 49  0  0  0  0  0  0  0  0999 V2000
    9.3686   -2.5041   -2.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7309   -1.6930   -1.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8371   -0.1961   -1.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9004   -2.2180   -0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1822   -3.4430    0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4245   -3.9012    1.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740   -3.1300    1.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5791   -3.4759    3.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0481   -2.5312    3.6031 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4389   -4.9508    3.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5683   -5.3404    4.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0866   -6.0638    2.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0362   -6.4744    3.3994 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5708   -7.7227    3.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9637   -8.7240    3.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215   -7.7076    4.6701 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2553   -9.6141    3.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0328   -5.2387    4.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813   -1.9151    1.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8278   -1.4706    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4396   -6.3579    4.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 26  1  0  0  0  0
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  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  2  0  0  0  0
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  5 29  1  0  0  0  0
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  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  2  0  0  0  0
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 11 31  1  0  0  0  0
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 14 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-01, 1022👍, 0💬