Molecule FYI-1015288

A

Molecule Summary:

ID: FYI-1015288
Names:
InChIKey: QBEDLGAOPUTKHI-UHFFFAOYSA-N
SMILES: COC(=O)CCC(=O)OC1CC(C)(C)N(CCOC(=O)CCC(=O)O)C(C)(C)C1

Received at FYIcenter.com on: 2025-07-29

Molecule ID: FYI-1015288 Edit

Molecule Structure InChIKey: QBEDLGAOPUTKHI-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCC(=O)OC1CC(C)(C)N(CCOC(=O)CCC(=O)O)C(C)(C)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015288
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
   20.6116    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9743    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.1000    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
  4  3  2  0  0  0  0
  5  3  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 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  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 19  2  0  0  0  0
 21 19  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 15  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
 29 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015288-3D
FYIcenter.com

 62 62  0  0  0  0  0  0  0  0999 V2000
    5.3712   -2.6102    5.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9631   -2.0275    4.5007 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9954   -0.6644    4.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3004    0.0390    5.4409 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5664   -0.1467    3.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2093    1.2110    2.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7116    1.0957    2.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3148    0.0794    2.4578 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2984    2.2655    3.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7358    2.2376    3.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1926    1.5797    4.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7309    1.5366    4.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9427    1.1029    6.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2257    0.3648    3.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3821    2.8557    4.3622 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8613    2.9109    4.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7505    2.1668    3.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1359    2.3450    3.7611 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5999    1.4256    4.6422 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9185    0.6795    5.3382 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0929    1.3875    4.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5760    0.0440    5.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1198   -1.0929    4.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7385   -1.4686    3.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9404   -1.6385    4.6046 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7989    3.7373    3.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1324    5.2342    3.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3231    3.4499    1.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2539    3.6667    3.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3445   -3.6980    5.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6796   -2.3259    6.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3951   -2.3135    5.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4798   -0.0521    3.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8642   -0.8505    2.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9196    1.9366    3.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800    1.5792    1.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1222    1.7261    2.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7830    0.5624    4.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7324    2.1064    5.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4494    0.1343    6.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4872    1.8137    6.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910    0.9694    6.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6439   -0.5448    3.9664 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2390    0.0606    4.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1607    0.5889    2.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1433    2.6022    5.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1990    3.9537    4.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6238    2.5042    2.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5724    1.1006    3.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4587    2.2079    5.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4298    1.5348    3.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2325   -0.1357    6.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6680    0.0288    5.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4669   -1.1350    5.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2022    5.4562    3.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7761    5.5595    4.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6506    5.8756    2.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3728    3.7241    1.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8108    4.0714    1.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1875    2.4090    1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8663    4.2009    2.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8192    4.1930    4.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
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 14 44  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 48  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 55  1  0  0  0  0
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 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
M  END
$$$$

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2025-08-18, 607👍, 0💬