Molecule FYI-1005368

A

Molecule Summary:

ID: FYI-1005368
Names:
InChIKey: AFXWLACSNLWASU-UHFFFAOYSA-N
SMILES: NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O

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

Molecule ID: FYI-1005368 Edit

Molecule Structure InChIKey: AFXWLACSNLWASU-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1005368
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
   26.6735    0.0000    0.0000 O   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
   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  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  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-1005368-3D
FYIcenter.com

 79 78  0  0  0  0  0  0  0  0999 V2000
    9.5118    4.3880    1.1417 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9320    4.4720   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3721    3.2757   -1.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7808    3.3498   -2.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2329    2.1610   -3.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6720    2.2166   -4.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0906    3.4588   -5.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2713    4.2756   -5.8767 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4490    3.5967   -5.6465 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9612    4.7879   -6.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4818    4.8077   -6.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9901    6.0842   -7.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5971    7.3823   -6.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1155    7.4674   -4.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6251    7.3945   -4.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2064    6.4994   -4.1938 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2713    8.4112   -5.4591 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7141    8.4672   -5.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2250    9.6759   -6.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7777   11.0018   -5.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3315   12.1799   -6.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8856   13.5260   -5.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4581   14.6562   -6.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1293   14.4734   -7.7201 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1782   15.9116   -6.2169 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6373   17.0901   -6.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8375   18.0271   -4.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0176   19.2628   -4.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.0291   20.0768   -0.9973 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8324    3.9379   -6.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0814    6.0284   -7.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9663    8.2300   -6.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7007    6.6601   -4.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0680    7.5440   -5.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8782    9.6224   -7.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3209    9.6353   -6.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6839   11.0653   -5.6443 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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  1 35  1  0  0  0  0
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  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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 23 24  2  0  0  0  0
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 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
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 27 72  1  0  0  0  0
 28 29  1  0  0  0  0
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 29 75  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
$$$$

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2023-11-02, 2202👍, 0💬