Molecule FYI-1007539

A

Molecule Summary:

ID: FYI-1007539
Names:
InChIKey: AHLBNYSZXLDEJQ-FWEHEUNISA-N
SMILES: CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O

Received at FYIcenter.com on: 2024-02-28

Molecule ID: FYI-1007539 Edit

Molecule Structure InChIKey: AHLBNYSZXLDEJQ-FWEHEUNISA-N

Molecule Structure SMILES String: CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007539
FYIcenter.com

 88 88  0  0  1  0  0  0  0  0999 V2000
   12.0150   11.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1272   15.5863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007539-3D
FYIcenter.com

 88 88  0  0  1  0  0  0  0  0999 V2000
   21.1766    8.9722   17.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4901    8.2532   16.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0359    8.6888   15.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3285    7.9766   14.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8837    8.4493   14.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1050    7.7834   13.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6752    8.3185   13.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8416    7.6872   12.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4008    8.2142   12.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6639    7.5018   11.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2249    7.9419   11.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0186    9.4251   10.6941 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.9299   10.7642    7.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8029   12.0109    9.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5170   12.5662    7.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0928   12.8220    9.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6734   15.2508    9.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1031   14.9910    7.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4395   13.6295    9.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1233   14.9492    9.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8669   13.3538    8.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1753   11.4443   10.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083   10.8585   13.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   10.5492   12.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9651    8.1201   12.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1945    8.6870   14.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4286    8.0607   12.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5611    7.1009   13.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8055    9.4371   14.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3620    7.7584   14.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4478    9.0837   13.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4272    8.7540    9.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4493    9.0202    8.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
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  2  3  1  0  0  0  0
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  8  9  1  0  0  0  0
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 12 25  1  0  0  0  0
 12 59  1  1  0  0  0
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 13 61  1  0  0  0  0
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 14 62  1  1  0  0  0
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 18 19  1  0  0  0  0
 18 63  1  6  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
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 24 75  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 33  1  0  0  0  0
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 28 77  1  6  0  0  0
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 33 34  1  0  0  0  0
 33 87  1  0  0  0  0
 34 35  2  0  0  0  0
 34 88  1  0  0  0  0
M  END
$$$$

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2024-03-07, 172👍, 0💬