Molecule FYI-1005370

A

Molecule Summary:

ID: FYI-1005370
Names:
InChIKey: AEHYCAFMKUNAOP-UHFFFAOYSA-N
SMILES: NCCCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O

Received at FYIcenter.com on: 2023-10-26

Molecule ID: FYI-1005370 Edit

Molecule Structure InChIKey: AEHYCAFMKUNAOP-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1005370
FYIcenter.com

 33 32  0  0  0  0  0  0  0  0999 V2000
   33.9482    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7357    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5233    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    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
   18.1865    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   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
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    1.2124    3.5000    0.0000 O   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  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  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  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 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  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 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005370-3D
FYIcenter.com

 79 78  0  0  0  0  0  0  0  0999 V2000
    0.8526   -1.0053    2.8228 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3068   -0.9507    2.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8938   -2.3198    2.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4179   -2.2815    2.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0121   -3.6485    2.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5387   -3.6114    2.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1311   -4.9770    2.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5861   -4.9866    2.1415 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2143   -5.2667    3.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5870   -5.5178    4.3503 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7363   -5.2545    3.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3040   -5.6120    4.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8309   -5.6120    4.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3935   -5.9805    6.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9141   -5.9358    6.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5223   -5.1712    5.3416 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5560   -6.7841    6.9622 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0079   -6.8474    7.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5985   -5.8550    8.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1305   -5.9255    8.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7176   -4.9337    9.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2497   -4.9704    9.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7681   -3.9686   10.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0281   -3.2602   10.7730 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1401   -3.8853   10.2014 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7408   -2.9652   11.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1162   -2.4813   10.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0458   -1.7508    9.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4229   -1.2625    8.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
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   27.7738   -0.0741    7.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7742   -0.2577    7.8778 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8406    0.5756    6.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8508   -5.2797    1.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1279   -4.7541    1.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0813   -4.2575    3.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0890   -5.9795    2.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9245   -4.8966    5.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1945   -4.6205    4.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2147   -6.3230    3.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0411   -6.9754    6.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4036   -6.6406    6.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2088   -6.0672    9.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2781   -4.8354    7.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5171   -5.7068    7.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.5922   -5.9742    9.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  2 37  1  0  0  0  0
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  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
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  7  8  1  0  0  0  0
  7 46  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
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 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  2  0  0  0  0
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 18 19  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
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 23 24  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 27 28  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 28 29  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
 29 30  1  0  0  0  0
 29 75  1  0  0  0  0
 29 76  1  0  0  0  0
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 30 78  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 79  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 1735👍, 0💬