Molecule FYI-1003426

A

Molecule Summary:

ID: FYI-1003426
Names:
InChIKey: LRRAQTVRZSKHMY-UHFFFAOYSA-N
SMILES: Cn3c(=O)n(CC(=O)NC1CCC(=O)NC1=O)c(=O)c2ccccc23

Received at FYIcenter.com on: 2023-06-16

Molecule ID: FYI-1003426 Edit

Molecule Structure InChIKey: LRRAQTVRZSKHMY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3c(=O)n(CC(=O)NC1CCC(=O)NC1=O)c(=O)c2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1003426
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.1211    5.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3663    1.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    0.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2910    1.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    3.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0348    2.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    1.3695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717    3.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7438    3.6757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6340    3.9523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0297    7.1975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4623    5.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8318    5.5748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2645    4.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3276    3.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9583    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5256    4.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1561    5.1166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4069    2.8106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1157    4.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7842    4.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  2  2  0  0  0  0
 12  1  2  0  0  0  0
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  9  8  1  0  0  0  0
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 25 13  1  0  0  0  0
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 22 21  1  0  0  0  0
 24 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003426-3D
FYIcenter.com

 41 43  0  0  1  0  0  0  0  0999 V2000
    2.7879    0.8136    2.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012    0.3514    0.8729 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1145   -0.8459    0.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3384   -1.4414    1.9544 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5934   -1.3129   -0.3208 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2913   -2.5904   -0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4278   -3.7061   -0.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6024   -4.3259   -0.2862 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6472   -3.9668   -2.2931 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0393   -5.1268   -2.9464 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9481   -6.3542   -2.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0547   -6.3038   -3.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4505   -6.3254   -5.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0089   -6.8350   -6.2072 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2641   -5.6440   -5.3743 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6408   -4.8753   -4.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8484   -3.9975   -4.7540 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -0.5819   -1.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1544   -0.9731   -2.5265 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    0.7206   -1.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8790    1.5071   -2.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2267    2.7367   -2.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    3.1778   -1.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3095    1.1519   -0.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8535    0.0657    2.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1013   -5.3583   -2.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3517   -7.2623   -2.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3805   -6.4214   -1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7121   -7.1720   -3.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6603   -5.3955   -3.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9415   -5.5202   -6.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1648    2.7891    0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  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 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
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 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
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 23 24  2  0  0  0  0
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 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-01, 1815👍, 0💬