Molecule FYI-1016130

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Molecule Summary:

ID: FYI-1016130
Names:
InChIKey: BSDWBDZDNLCSOQ-UHFFFAOYSA-N
SMILES: NCCCCCCNC(=O)CCCCCCCCCC(=O)O

Received at FYIcenter.com on: 2025-11-25

Molecule ID: FYI-1016130 Edit

Molecule Structure InChIKey: BSDWBDZDNLCSOQ-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCCCNC(=O)CCCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016130
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
    4.5647    2.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5203    1.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7052    1.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0108    1.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875    1.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6451    1.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7903    2.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8791    1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7894    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0201    2.2200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2921    1.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4704    2.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5319    1.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8296    2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9299    1.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1179    1.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1720    0.9579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4697    1.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3592    2.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1115    1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8675    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  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
 10 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
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016130-3D
FYIcenter.com

 56 55  0  0  0  0  0  0  0  0999 V2000
    0.7181   -3.4767   -4.4829 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725   -3.5335   -4.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640   -2.1335   -4.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2908   -2.1748   -4.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8914   -0.7779   -4.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185   -0.8168   -4.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0001    0.5866   -4.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4470    0.5931   -4.3489 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0640    0.7407   -5.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4406    0.8713   -6.6208 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5766    0.7444   -5.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1545    0.9244   -6.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6771    0.9299   -6.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2029    1.1118   -8.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7281    1.1195   -8.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2568    1.3005   -9.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7851    1.3078   -9.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3008    1.4893  -11.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8256    1.5022  -11.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2991    1.6834  -12.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5741    1.8057  -13.6850 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6470    1.6985  -12.8078 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3362   -4.4103   -4.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3582   -2.9003   -5.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710   -3.9716   -5.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5473   -4.1857   -3.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4573   -1.6993   -3.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3748   -1.4779   -5.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6086   -5.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6817   -2.8263   -3.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5815   -0.3423   -3.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002   -0.1260   -5.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7319   -1.2530   -5.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8145   -1.4697   -3.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7165    1.0186   -3.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6038    1.2392   -5.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9951    0.4952   -3.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9082   -0.2054   -5.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9015    1.5608   -4.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7847    1.8645   -7.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7907    0.1183   -7.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0535   -0.0117   -6.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0478    1.7414   -6.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8225    2.0523   -8.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8283    0.3022   -8.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1062    0.1781   -7.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1004    1.9304   -7.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8777    2.2413  -10.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8834    0.4909  -10.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1637    0.3663   -9.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1580    2.1187   -9.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9098    2.4274  -11.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9155    0.6809  -11.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2243    0.5555  -10.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2186    2.3271  -10.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1046    1.5906  -11.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  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 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 56  1  0  0  0  0
M  END
$$$$

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