Molecule FYI-1002486

A

Molecule Summary:

ID: FYI-1002486
Names:
InChIKey: QLLPRWCUCRUYCU-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)OCCOC(=O)NCC(C)(C)CC(C)CCNC(O)OCCOC(=O)C(=C)C

Received at FYIcenter.com on: 2023-04-04

Molecule ID: FYI-1002486 Edit

Molecule Structure InChIKey: QLLPRWCUCRUYCU-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OCCOC(=O)NCC(C)(C)CC(C)CCNC(O)OCCOC(=O)C(=C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002486
FYIcenter.com

 33 32  0  0  0  0  0  0  0  0999 V2000
   14.5493    0.0000    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
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    1.4000    0.0000 O   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
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    3.6373    2.1000    0.0000 O   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
    2.4249    0.0000    0.0000 O   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 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
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  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
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 11 10  1  0  0  0  0
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 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  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  2  0  0  0  0
 31 29  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-1002486-3D
FYIcenter.com

 73 72  0  0  1  0  0  0  0  0999 V2000
   12.8924   -6.8077    2.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9588   -5.6369    1.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7587   -5.5790   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2253   -4.3755    2.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3812   -4.3095    3.3403 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2479   -3.2943    1.2955 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4366   -2.0179    1.9554 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1213   -1.5313    2.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2620   -0.3253    3.3288 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7482    0.8051    2.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4061    0.9393    1.6191 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6457    1.7456    3.7556 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1174    3.0803    3.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4907    4.0596    4.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9836    5.4649    4.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7683    3.5883    5.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7130    5.0343    5.8660 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3571    4.7075    7.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2605    4.9892    5.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3531    6.7291    4.0143 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8640    7.1836    2.7476 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.3492    6.3500    1.7421 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9603    9.4880    3.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 73  1  0  0  0  0
M  END
$$$$

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2023-04-26, 2391👍, 0💬