Molecule FYI-1007480

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A

Molecule Summary:

ID: FYI-1007480
Names:
InChIKey: FFEARJCKVFRZRR-UHFFFAOYSA-N
SMILES: CSCCC(N)C(=O)O

Received at FYIcenter.com on: 2024-02-24

Molecule ID: FYI-1007480 Edit

Molecule Structure InChIKey: FFEARJCKVFRZRR-UHFFFAOYSA-N

Molecule Structure SMILES String: CSCCC(N)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007480
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   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
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.2999    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
  2  4  2  0  0  0  0
  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007480-3D
FYIcenter.com

 20 19  0     1  0  0  0  0  0999 V2000
    2.2858    0.9701    0.2797 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1607    1.6402    0.6921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5905    0.3693   -0.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3628   -1.8775    0.4986 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4156   -0.8111   -0.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662   -0.6533    0.3686 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2656    0.4223   -1.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5486    0.4754    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2617   -0.5355    0.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596   -1.6832   -0.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540   -1.0435   -1.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0512   -0.4839    1.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282    1.2591   -1.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    0.2090   -1.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9632   -1.8082    1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7442   -2.6701    0.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6638   -1.3256    0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0990   -0.3183    1.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690   -0.8794   -0.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8051    2.3619    0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$

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2024-03-07, 177👍, 0💬