Molecule FYI-1016361

A

Molecule Summary:

ID: FYI-1016361
Names:
InChIKey: SMSBHVMPYACRLO-UHFFFAOYSA-N
SMILES: O=C1CCCCCCCCC(=O)NCCCCCCNC(=O)CCCCC(=O)NCCCCCCCCCN1

Received at FYIcenter.com on: 2025-12-09

Molecule ID: FYI-1016361 Edit

Molecule Structure InChIKey: SMSBHVMPYACRLO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCCCC(=O)NCCCCCCNC(=O)CCCCC(=O)NCCCCCCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016361
FYIcenter.com

 39 39  0  0  0  0  0  0  0  0999 V2000
    4.1379   12.0580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3503   12.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3502   14.1580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4966   11.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8325   12.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1402   11.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4580   12.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3838   11.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6204   11.9518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5390    9.9043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9694   11.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6424    9.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4235    9.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145    7.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    7.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1633    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9714    4.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2253    3.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7510    3.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1322    3.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9637    2.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2749    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3103    2.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7046    2.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8158    1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3504    1.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5454    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6107    1.9959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7261    9.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0879    7.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2760    7.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2286    5.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4167    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3693    3.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5574    2.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5100    1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5423    0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 10 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016361-3D
FYIcenter.com

 97 97  0  0  0  0  0  0  0  0999 V2000
   14.7021    0.1946   -0.7834 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9056    0.0910    0.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9014   -0.1666    0.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9342    0.0695    0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7593    0.2846    1.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7444    0.4007    2.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9468    0.7041    3.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7092    0.8388    4.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6136    1.1646    5.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3419    1.4457    7.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3594    1.7018    8.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8127    1.9327    9.5053 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9894    1.6817    8.2788 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.2503    1.4404    7.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7694    1.4440    7.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4216    1.1450    5.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9529    1.1159    5.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5357    0.7870    4.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0697    0.8017    4.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3368    0.5883    3.1181 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1127    1.1909    2.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9779    2.0041    2.0248 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9939    0.7985    3.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2025-12-09, 799👍, 0💬