Molecule FYI-1015942

Home > Molecule

A

Molecule Summary:

ID: FYI-1015942
Names:
InChIKey: KTNQCRNIAFXDHJ-UHFFFAOYSA-N
SMILES: NCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCO

Received at FYIcenter.com on: 2025-11-05

Molecule ID: FYI-1015942 Edit

Molecule Structure InChIKey: KTNQCRNIAFXDHJ-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015942
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   14.6002    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8126    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4499    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6623    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8748    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0872    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2997    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7245    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9370    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1494    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3619    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3877    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1753    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9628    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7504    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7504    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5380    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3255    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1131    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9007    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6882    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4758    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1718    1.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1434    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  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  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  1  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  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015942-3D
FYIcenter.com

 73 72  0  0  0  0  0  0  0  0999 V2000
    0.7946   -3.5802    4.5757 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486   -3.6235    4.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8354   -3.8060    3.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3634   -3.8584    3.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9533   -4.0372    1.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4811   -4.0897    1.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0562   -4.2533    0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5002   -4.3643    0.5448 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1084   -5.5841    0.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4804   -6.6280    0.8919 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6253   -5.5188    0.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134   -6.9212    0.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7383   -6.9312    0.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2567   -8.3633    1.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7810   -8.4063    1.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3003   -9.8377    1.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8254   -9.8463    1.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4105  -11.2478    1.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9266  -11.1872    1.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5588  -10.1375    1.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5374  -12.4179    1.4236 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.9823  -12.5253    1.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5641  -12.3767    2.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0927  -12.4365    2.8029 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6864  -12.3004    4.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2125  -12.3640    4.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7971  -12.2317    5.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2174  -12.2900    5.5214 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4155   -3.5138    5.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474   -4.4569    4.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567   -4.4490    5.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6149   -2.6920    5.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -2.9792    2.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4520   -4.7317    2.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6825   -4.6876    3.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7493   -2.9342    3.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6303   -3.2101    1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660   -4.9624    1.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -4.9210    2.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8764   -3.1728    2.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8009   -3.3925   -0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6394   -5.1500    0.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0654   -3.5266    0.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9610   -4.8754    1.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9484   -5.0718   -0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8456   -7.5566    0.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8509   -7.3699    1.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1157   -6.3081    1.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1120   -6.5013   -0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8748   -8.9848    0.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754   -8.7926    1.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1624   -7.7850    1.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1625   -7.9767    0.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9255  -10.4610    0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9249  -10.2687    2.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1903   -9.2061    1.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1916   -9.4038    0.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0829  -11.8914    0.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0790  -11.6961    2.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9813  -13.2494    1.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3978  -11.7550    0.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2383  -13.5026    1.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1714  -13.1718    3.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2422  -11.4257    3.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4777  -11.6329    2.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4139  -13.3859    2.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2992  -13.1015    4.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3679  -11.3490    4.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6159  -11.5691    3.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5451  -13.3084    3.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4424  -13.0332    6.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5172  -11.2734    6.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4641  -13.1502    5.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 15  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 17  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  1  0  0  0  0
 18 58  1  0  0  0  0
 18 59  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 60  1  0  0  0  0
 22 23  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 24 25  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 26  1  0  0  0  0
 25 67  1  0  0  0  0
 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
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 28 73  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 366👍, 0💬