Molecule Editor

Molecule ID: FYI-1009976 Edit

Molecule Structure InChIKey: BGPRTQPZXLYTJE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(=O)C2=C(N)CC(CC)C(CC(=O)CC(O)NCCC(N)CCC(=O)CCCC1=C(C)NC(O)C(C)O1)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009976
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
   21.4687    1.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7719    2.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9805    3.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3183    3.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8298    5.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2258    5.2318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1298    6.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7454    6.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7193    5.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9185    7.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3111    8.7577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3146    7.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1032    8.5485    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  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
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 38  7  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009976-3D
FYIcenter.com

 95 96  0  0  1  0  0  0  0  0999 V2000
    8.7442    4.9972   10.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1990    4.4173    9.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8567    5.3346    8.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7731    6.5541    8.2192 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6025    4.6909    6.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8873    5.3483    5.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4477    6.6542    5.9168 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    4.7796    4.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7586    3.2930    4.0878 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9090    2.8463    2.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2802    3.0034    3.9476 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9429    3.6773    2.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4768    3.7391    2.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1776    3.3433    3.6537 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2291    4.3925    1.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6653    4.3446    0.2027 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3792    4.9251    0.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5261    5.1248   -0.6786 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8973    4.6126   -0.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9847    3.2295   -1.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3809    3.1939   -2.8775 C   0  0  3  0  0  0  0  0  0  0  0  0
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   11.2913   -0.6625    2.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8775   -3.2670    3.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$