Molecule FYI-1016139

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Molecule Summary:

ID: FYI-1016139
Names:
InChIKey: IWENLYKHSZCPRD-UHFFFAOYSA-N
SMILES: NCCCCCC(=O)NCCCCCC(=O)O

Received at FYIcenter.com on: 2025-11-26

Molecule ID: FYI-1016139 Edit

Molecule Structure InChIKey: IWENLYKHSZCPRD-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016139
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
    5.7095    1.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804    1.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590    1.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1952    2.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0102    1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9439    1.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1368    1.0308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2083    1.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4265    1.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6986    1.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8270    0.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0329    1.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3765    1.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2444    2.4146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2349    3.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4409    0.0000    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
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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
  8 15  2  0  0  0  0
  5 16  1  0  0  0  0
  5 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016139-3D
FYIcenter.com

 41 40  0     0  0  0  0  0  0999 V2000
   -3.5639    1.0758    1.3263 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -0.1201   -0.9313 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4932    0.6450    1.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3672    1.6291   -0.5898 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795   -4.3032    0.3194 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3943    2.5180    0.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6059    1.8500   -0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6362   -1.2871   -1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8588   -1.8882    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7352    2.8278   -0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7539   -0.3515   -0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9403    1.5116    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7664   -2.8429   -0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310    0.8532    0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8954    0.8356   -0.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0321   -3.4135    0.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2061    0.4604   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0366    3.4509    0.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5564    1.8636    1.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859    2.5119   -1.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1749    0.9246   -0.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0854   -2.0992   -1.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9423   -0.7693   -1.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5486   -2.4259    0.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3973   -1.0896    0.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4017    3.3103    0.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6010    3.5071   -0.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3145    0.0097   -1.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4604   -0.8890    0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3995    2.4264    0.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7636    0.8511    1.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2236   -3.6587   -0.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920   -2.3072   -1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1837    1.3764   -1.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4388   -0.0802   -1.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100    1.5134   -1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931   -2.6016    1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6291   -3.9661    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6606   -5.0790   -0.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691   -4.7152    1.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076   -0.3660   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 17  1  0  0  0  0
  2 41  1  0  0  0  0
  3 17  2  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  4 34  1  0  0  0  0
  5 16  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 17  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
$$$$

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2026-02-02, 1011👍, 0💬