Molecule FYI-1007669

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A

Molecule Summary:

ID: FYI-1007669
Names:
InChIKey: YEOPQOMIXAMWNQ-UHFFFAOYSA-N
SMILES: CC(O)C1NC(=O)CNC1O

Received at FYIcenter.com on: 2024-03-11

Molecule ID: FYI-1007669 Edit

Molecule Structure InChIKey: YEOPQOMIXAMWNQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(O)C1NC(=O)CNC1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007669
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   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
    2.4249    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
    4.8497    0.0000    0.0000 O   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  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
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007669-3D
FYIcenter.com

 23 23  0  0  1  0  0  0  0  0999 V2000
    0.9658    0.1903   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4797    0.0583    0.0588 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0318    1.3891   -0.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0612   -0.6067    1.3381 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5241   -0.6292    1.2125 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1334   -1.6520    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -1.4883    0.0364 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4344   -3.0220    0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9513   -2.9754    0.6229 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5568   -2.0385    1.6608 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1602   -2.1088    1.7944 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798    0.8575   -0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5685    0.6341    0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4757   -0.7695   -0.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8257   -0.4752   -0.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091    1.9395    0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8435    0.0486    2.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9850    0.2649    1.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8421   -3.5981    1.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6930   -3.5347   -0.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6455   -3.9085    0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9816   -2.3559    2.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665   -2.5736    0.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

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2024-03-17, 165👍, 0💬