Molecule FYI-1004142

A

Molecule Summary:

ID: FYI-1004142
Names:
InChIKey: NVMVEAPSDVAAQG-UHFFFAOYSA-N
SMILES: COC(=O)CCC(Cc1ccccc1)NC(=O)C2(CNC(=O)OC(C)(C)C)CCCCCC2

Received at FYIcenter.com on: 2023-08-17

Molecule ID: FYI-1004142 Edit

Molecule Structure InChIKey: NVMVEAPSDVAAQG-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCC(Cc1ccccc1)NC(=O)C2(CNC(=O)OC(C)(C)C)CCCCCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004142
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5491    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004142-3D
FYIcenter.com

 73 74  0  0  1  0  0  0  0  0999 V2000
    3.3779   -1.8608   -0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6285   -1.1956   -0.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -0.2853    0.6019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2357   -0.0431    1.5779 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2263    0.4070    0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6492    1.4141    1.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9999    2.1174    1.0371 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9964    2.8921   -0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2959    3.5615   -0.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4702    2.8157   -0.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6213    3.4191   -1.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6156    4.7697   -1.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4635    5.5273   -1.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3121    4.9265   -1.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3004    3.0206    2.1535 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7068    2.5473    3.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9779    2.8100    5.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2467    1.7509    6.1738 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6252    1.9331    7.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8111    2.8997    8.0867 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2011    3.6487   -0.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5013    5.2294   -2.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4549    6.5799   -1.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  1  0  0  0  0
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 32 71  1  0  0  0  0
 33 72  1  0  0  0  0
 33 73  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 1974👍, 0💬