Molecule FYI-1008799

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Molecule Summary:

ID: FYI-1008799
Names:
InChIKey: GAECNGVBKMNHGG-UHFFFAOYSA-N
SMILES: CC(C)NC(=O)CCN

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008799 Edit

Molecule Structure InChIKey: GAECNGVBKMNHGG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)NC(=O)CCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1008799
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008799-3D
FYIcenter.com

 23 22  0     0  0  0  0  0  0999 V2000
    0.2950   -1.3254    0.7345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751    0.4850   -0.1254 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9757    0.5124   -0.3013 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1938   -0.0199    0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5278    0.5216   -0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6858   -0.8548   -0.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1187    1.1549    0.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2743   -0.2260    0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8006   -0.2479    0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1378   -0.6548    1.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7933    1.3606   -0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4699    0.7036   -1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5285    1.4950    0.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7315   -0.2624   -1.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0182   -1.7028   -1.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6866   -1.2524   -0.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1971    1.8223   -0.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7473    1.7494    1.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1257    0.8057    0.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8019   -1.2207   -0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8525   -0.4395    1.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9523    0.6684   -1.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142   -0.0367   -0.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  9  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1563👍, 0💬