Molecule FYI-1001890

A

Molecule Summary:

ID: FYI-1001890
SMILES: CCCCCCCCCC(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC1CCCN(O)C1(=O))C(O)C(O)=O)C(O)C(O)=O

Received at FYIcenter.com on: 2022-12-26

Molecule ID: FYI-1001890 Edit

Molecule Structure SMILES String: CCCCCCCCCC(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC1CCCN(O)C1(=O))C(O)C(O)=O)C(O)C(O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001890
FYIcenter.com

 57 57  0  0  0  0  0  0  0  0999 V2000
   27.8861    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4613    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4613    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2489    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2489    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1866    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8499    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   14.7000    0.0000 O   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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  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
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 27  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 34  1  0  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 44  1  0  0  0  0
 46 40  1  0  0  0  0
 47 46  2  0  0  0  0
 48 23  1  0  0  0  0
 49 48  1  0  0  0  0
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 51 50  1  0  0  0  0
 52 50  2  0  0  0  0
 53 13  1  0  0  0  0
 54 53  1  0  0  0  0
 55 53  1  0  0  0  0
 56 55  1  0  0  0  0
 57 55  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001890-3D
FYIcenter.com

112112  0  0  1  0  0  0  0  0999 V2000
   10.7010    3.1142   -0.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5030    2.1622   -0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6113   -5.7173   -6.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5005   -3.5609   -8.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
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 56112  1  0  0  0  0
M  END
$$$$

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2023-01-11, 357👍, 0💬