Molecule FYI-1015875

A

Molecule Summary:

ID: FYI-1015875
Names:
InChIKey: SZUJRVNFRDZFRP-UHFFFAOYSA-N
SMILES: CC(=O)NCCCCCCNC(=O)CCCCC(=O)NCCCCCCNC(C)=O

Received at FYIcenter.com on: 2025-10-27

Molecule ID: FYI-1015875 Edit

Molecule Structure InChIKey: SZUJRVNFRDZFRP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCCCCCCNC(=O)CCCCC(=O)NCCCCCCNC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015875
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
    1.1345    2.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6107    4.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3670    5.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4161    6.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551    7.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3673    9.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2850    9.8676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2219   10.1225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759   10.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765   11.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7638   11.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0729   11.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3383   11.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4967   10.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4896    9.8132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2674    8.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3426    9.5077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0348    2.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1802    1.5455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1262    0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9254    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6383    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292    0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0637    0.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9054    1.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    1.8547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0510    1.7116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7741    3.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9537    7.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  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  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 13  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  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  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
 27 26  1  0  0  0  0
 27  1  1  0  0  0  0
 28 19  2  0  0  0  0
 19 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015875-3D
FYIcenter.com

 72 71  0  0  0  0  0  0  0  0999 V2000
    8.7939    6.6646   -3.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2184    6.3142   -2.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2115    5.6268   -1.8920 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9259    6.8409   -0.9620 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5198    6.6178    0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1109    5.3312    0.9851 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    5.0949    2.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2310    3.8119    3.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7658    3.5727    4.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3338    2.2791    5.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7799    2.3059    5.1559 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3894    2.8605    6.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7535    3.3413    7.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9056    2.8275    6.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4961    3.3947    7.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0209    3.3922    7.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6097    3.9631    8.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1298    3.9537    8.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7643    3.5829    7.7770 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7366    4.4008    9.9128 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1809    4.4677   10.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7501    5.7728    9.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2769    6.9908   10.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8713    8.2861    9.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3826    9.5002   10.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9713   10.7895    9.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5089   11.9597   10.6500 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1664   12.4354   11.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5624   13.6806   12.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1670   11.9064   12.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1642    6.2398   -4.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8019    6.2523   -3.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8233    7.7508   -3.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7882    7.3398   -1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4256    6.5829    0.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8551    7.4841    0.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2065    5.3883    0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8286    4.4768    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5385    5.0309    2.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9169    5.9490    3.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3246    3.8794    2.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9409    2.9574    2.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6704    3.5129    4.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0509    4.4261    5.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0728    1.4206    4.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8975    2.1121    6.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3442    2.0031    4.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2408    3.4186    5.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2335    1.7920    6.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1315    2.8058    8.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1341    4.4196    7.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3844    3.9789    6.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3856    2.3671    7.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2811    3.3675    9.6651 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2730    4.9967    8.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1732    4.7730   10.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6139    3.6236    9.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4442    4.3474   11.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4677    5.8877    8.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8454    5.7201    9.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5632    6.8723   11.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1831    7.0552   10.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5915    8.3991    8.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9663    8.2358    9.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6597    9.3915   11.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2869    9.5498   10.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6737   10.9191    8.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0658   10.7547    9.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6535   12.4049   10.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6583   13.9907   11.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2916   14.4939   12.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3021   13.4871   13.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  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
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  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
 10 46  1  0  0  0  0
 11 12  1  0  0  0  0
 11 47  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 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 18  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 21 22  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 23  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 24  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 25  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 26  1  0  0  0  0
 25 65  1  0  0  0  0
 25 66  1  0  0  0  0
 26 27  1  0  0  0  0
 26 67  1  0  0  0  0
 26 68  1  0  0  0  0
 27 28  1  0  0  0  0
 27 69  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 551👍, 0💬