Molecule FYI-1015347

A

Molecule Summary:

ID: FYI-1015347
Names:
InChIKey: MTHPUOHANYCKCZ-HTXNQAPBSA-N
SMILES: CCC(=O)OCCN(/C=C/O)C(=O)C1CCCCC1C(=O)N(C2CCCCC2)C3CCCCC3

Received at FYIcenter.com on: 2025-08-09

Molecule ID: FYI-1015347 Edit

Molecule Structure InChIKey: MTHPUOHANYCKCZ-HTXNQAPBSA-N

Molecule Structure SMILES String: CCC(=O)OCCN(/C=C/O)C(=O)C1CCCCC1C(=O)N(C2CCCCC2)C3CCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015347
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  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
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  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
 28 23  1  0  0  0  0
 29 22  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 34 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015347-3D
FYIcenter.com

 78 80  0  0  1  0  0  0  0  0999 V2000
   11.7251    0.1596   -3.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2969   -1.2888   -3.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9789   -1.3894   -2.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3385   -0.4363   -2.2452 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6217   -2.6932   -2.5422 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3459   -2.9205   -1.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3690   -2.7406   -0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9657   -3.8818    0.3587 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3349   -4.1012    0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717   -3.2026   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6130   -3.4779   -0.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0797   -4.7443    1.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8575   -4.6485    0.9047 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6784   -5.8533    1.9303 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5790   -7.1411    1.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0522   -8.3814    1.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3146   -8.5361    3.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5556   -7.3196    4.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1538   -5.9665    3.3829 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6735   -5.6616    3.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8916   -6.6167    3.6485 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2344   -4.3507    4.0131 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1251   -3.1248    3.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2605   -3.0027    4.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2297   -1.8676    4.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5065   -0.5324    4.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3353   -0.5674    3.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3953   -1.7529    3.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7269   -4.1705    3.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9145   -5.0390    4.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955   -4.8521    4.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9307   -5.0826    3.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6627   -4.1511    2.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -4.3199    2.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6440    0.2190   -4.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9117    0.6352   -2.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9502    0.7375   -4.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0711   -1.8297   -2.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1672   -1.7538   -4.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0305   -3.9370   -2.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6108   -2.2390   -2.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252   -2.6182   -0.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8836   -1.8235   -0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6692   -5.1188    0.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1023   -2.1452   -0.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7496   -4.4440   -0.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7429   -5.6577    2.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1770   -7.0270    0.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5444   -7.2894    0.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1322   -8.3180    2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8845   -9.2622    1.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6640   -9.4404    3.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2433   -8.6719    2.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6287   -7.2810    4.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0432   -7.4602    4.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7335   -5.2587    3.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6026   -3.2233    2.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8726   -3.8911    5.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8317   -2.8297    5.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6694   -2.0490    3.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0627   -1.8391    5.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1987    0.2724    4.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1469   -0.3135    5.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7189   -0.6260    2.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7741    0.3710    3.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6287   -1.7369    3.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8933   -1.5882    4.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5114   -3.1518    4.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2070   -4.7876    6.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1097   -6.1067    4.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1107   -3.8410    5.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8697   -5.5497    5.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497   -4.9141    3.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082   -6.1267    3.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3911   -3.1120    2.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3398   -4.3537    1.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6544   -3.5846    1.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310   -5.3060    2.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
  2 39  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
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 18  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  1  0  0  0  0
 19 56  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 23 57  1  0  0  0  0
 24 25  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 26  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 27  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 28  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 66  1  0  0  0  0
 28 67  1  0  0  0  0
 29 30  1  0  0  0  0
 29 34  1  0  0  0  0
 29 68  1  0  0  0  0
 30 31  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
 31 32  1  0  0  0  0
 31 71  1  0  0  0  0
 31 72  1  0  0  0  0
 32 33  1  0  0  0  0
 32 73  1  0  0  0  0
 32 74  1  0  0  0  0
 33 34  1  0  0  0  0
 33 75  1  0  0  0  0
 33 76  1  0  0  0  0
 34 77  1  0  0  0  0
 34 78  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-08-18, 920👍, 0💬