Molecule FYI-1000954

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Molecule Summary:

ID: FYI-1000954
SMILES: CC(C(C(=O)OC)C(=O)OC)C(C(=O)O)NC(=O)C(CC1=CC(=CC=C1)F)NC(=O)C

Received at FYIcenter.com on: 2021-07-28

Molecule ID: FYI-1000954 Edit

Molecule Structure SMILES String: CC(C(C(=O)OC)C(=O)OC)C(C(=O)O)NC(=O)C(CC1=CC(=CC=C1)F)NC(=O)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000954
FYIcenter.com

 31 31  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    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
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 C   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
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    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
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 19  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000954-3D
FYIcenter.com

 56 56  0  0  1  0  0  0  0  0999 V2000
    0.8699    0.0665   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120   -0.0990   -0.1422 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7353   -1.5231   -0.6832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1525   -1.7803   -2.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   -1.1287   -3.0518 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2696   -2.8242   -1.9988 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6503   -3.1935   -3.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1957   -1.8896   -0.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0215   -1.3936   -1.4693 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4605   -2.8803    0.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8008   -3.3852    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0940    1.1184   -0.8536 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5394    2.4623   -0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8028    3.1890   -0.9755 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8560    2.7521    0.9629 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5723    1.1631   -0.8576 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3628    1.1855    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8155    1.2163    1.3747 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9035    1.3781    0.1033 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5217    0.6886   -1.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0381    0.6126   -1.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6293    0.5470   -2.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9871    0.2661   -2.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7894    0.0515   -1.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2309    0.1589   -0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8662    0.4408   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5177    0.1662   -3.8560 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2330    2.8059    0.1196 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6002    3.4476    1.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6467    2.8941    2.3726 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0173    4.8837    1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3788   -0.7920    0.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862    0.1496   -1.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5460    0.9563    0.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132   -0.0878    0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2469   -2.2268    0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4158   -3.3544   -3.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0916   -4.1330   -3.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7468   -2.4353   -4.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7584   -4.4676    0.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487   -2.9321    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3280   -3.1997   -0.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8176    1.1025   -1.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    2.1195    1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9983    0.8230   -1.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3214    0.9135    1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1458    1.1780   -2.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1786   -0.3498   -1.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0379    0.6761   -3.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8355   -0.2061   -1.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8515   -0.0026    0.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    0.4916    0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1461    3.3408   -0.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7837    5.2563    0.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0980    4.9562    1.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4997    5.5078    1.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
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 12 43  1  0  0  0  0
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 17 18  2  0  0  0  0
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 19 28  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 25 26  2  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
M  END
$$$$

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2021-11-13, 2760👍, 0💬