Molecule FYI-1005771

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A

Molecule Summary:

ID: FYI-1005771
Names:
InChIKey: BJRDIUUDPYIWGK-UHFFFAOYSA-N
SMILES: CCCCCCNC(=O)CCCCC(=O)NCCCCCC

Received at FYIcenter.com on: 2023-11-13

Molecule ID: FYI-1005771 Edit

Molecule Structure InChIKey: BJRDIUUDPYIWGK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCNC(=O)CCCCC(=O)NCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005771
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    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    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    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
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    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 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  6  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005771-3D
FYIcenter.com

 58 57  0  0  0  0  0  0  0  0999 V2000
    4.7610   -1.8426   -4.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9729   -1.2063   -2.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5350   -2.2246   -1.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7506   -1.5977   -0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3118   -2.6238    0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5253   -1.9971    2.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0840   -2.9417    2.9805 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4491   -3.0806    3.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2352   -2.4277    2.4251 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9202   -4.0930    4.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4575   -4.1353    4.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9922   -5.1378    5.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5308   -5.1793    5.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0054   -6.1904    6.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2222   -6.8668    6.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3701   -6.3115    6.4134 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9233   -7.2509    7.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1365   -8.6387    6.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6983   -9.6053    7.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9156  -10.9904    7.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4766  -11.9591    8.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6889  -13.3328    7.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3579   -1.1098   -4.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8458   -3.0735   -1.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7996   -1.2022    0.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4411   -0.7497   -0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2589   -3.0219    0.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6230   -3.4736    0.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5771   -1.6290    2.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2038   -1.1410    1.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4549   -3.5072    3.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5221   -5.0794    3.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223   -3.8089    5.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8412   -3.1361    4.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8424   -4.3897    3.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6088   -6.1374    4.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9275   -4.1933    5.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8254   -8.5733    5.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1895   -9.0317    6.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0074   -9.6792    8.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6487   -9.2210    8.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3941  -13.2808    6.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 36  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
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 22 58  1  0  0  0  0
M  END
$$$$

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2023-11-18, 3125👍, 0💬