Molecule Editor

Molecule ID: FYI-1016547 Edit

Molecule Structure InChIKey: YDBXZZVSBPCHAM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCCCCCC(=O)NCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016547
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
    1.3282    1.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5406    2.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7530    1.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9654    2.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1779    1.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3903    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6027    1.4162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3282    0.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8169    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0276    1.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2418    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4525    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6666    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9630    3.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8773    1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9800    2.2607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0799    1.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9570    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1588    2.2867    0.0000 C   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
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  7 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
 10 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016547-3D
FYIcenter.com

 46 45  0     0  0  0  0  0  0999 V2000
   -4.3146   -0.2618    1.3040 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    2.4717   -0.9097 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0971    2.9232    1.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0741   -0.9010    0.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724    0.7449   -0.6159 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2254   -3.0520    0.4103 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4612   -2.1742    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4146   -1.9933   -1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1091    2.4259    0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9086    2.2649   -0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0560   -2.5495   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8353   -1.6459   -0.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4427    2.1029   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318    2.5593    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9048   -2.6925    0.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9085   -0.3262    0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5957    2.3706   -0.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9314    2.6216   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2041   -2.1215    0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5022   -2.7671   -0.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4070   -1.2472    0.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8462   -2.9548    0.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -2.9266   -1.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0169   -1.2284   -1.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1406    3.4559    0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9707    1.7742    1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8804    1.2413   -0.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917   -3.4897   -0.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185   -1.7832   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2356   -2.4341    0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4904   -1.5806   -1.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2602    2.2452    0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6169    2.7647   -0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5600    1.8949    1.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4337    3.5855    0.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9595   -1.7546    1.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637   -3.4795    1.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1874    0.5911   -1.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5957    1.3454   -1.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4937    3.0680   -1.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433   -4.0414    0.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3199   -3.5647   -1.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573   -2.0209   -0.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927   -3.1837    0.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8268    2.6332   -0.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 18  1  0  0  0  0
  2 46  1  0  0  0  0
  3 18  2  0  0  0  0
  4 19  2  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  5 39  1  0  0  0  0
  6 15  1  0  0  0  0
  6 19  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 16  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 19 20  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
M  END
$$$$