Molecule FYI-1013922

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A

Molecule Summary:

ID: FYI-1013922
Names:
InChIKey: HAAQQNHQZBOWFO-ZCFIWIBFSA-N
SMILES: O=C(O)CNC(=O)CNC(=O)[C@H]1CCCN1

Received at FYIcenter.com on: 2025-02-13

Molecule ID: FYI-1013922 Edit

Molecule Structure InChIKey: HAAQQNHQZBOWFO-ZCFIWIBFSA-N

Molecule Structure SMILES String: O=C(O)CNC(=O)CNC(=O)[C@H]1CCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013922
FYIcenter.com

 16 16  0  0  1  0  0  0  0  0999 V2000
   11.9153    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  6  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
 16 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013922-3D
FYIcenter.com

 31 31  0     1  0  0  0  0  0999 V2000
    1.1653   -0.0053    1.4998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3734    0.8348   -1.5690 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6587   -1.5583    0.7942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6510   -1.9682   -0.2110 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6798   -0.5316   -1.1480 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097    1.6708   -0.0760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6856    1.0145    0.3410 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713    0.4640   -0.0935 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8910   -0.1273    0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2070   -1.5026    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8865   -1.3529   -1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5387    0.6713    0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5219    2.0512    0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5418    1.2236   -0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8410    0.2977   -0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7760   -1.1817    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575    1.4043   -0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5698   -0.1910    1.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8038    0.4817    0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2458   -1.7962    0.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543   -2.2552    0.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6963   -0.8346   -1.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7118   -2.3174   -1.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5256   -0.0854   -2.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    2.1483   -0.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172    1.9122    1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6700    3.1067    0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7284    1.3748    1.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9221    0.4447   -1.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7180    0.7112    0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6400   -2.5243    0.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 14  2  0  0  0  0
  3 16  1  0  0  0  0
  3 31  1  0  0  0  0
  4 16  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1413👍, 0💬