Molecule FYI-1007001

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Molecule Summary:

ID: FYI-1007001
Names:
InChIKey: ZFAHNWWNDFHPOH-UHFFFAOYSA-N
SMILES: C=CCSCC(N)C(=O)O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1007001 Edit

Molecule Structure InChIKey: ZFAHNWWNDFHPOH-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007001
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    8.4871    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007001-3D
FYIcenter.com

 21 20  0     1  0  0  0  0  0999 V2000
   -0.9336    0.2805   -0.3904 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5078    1.5394   -0.8702 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3056    0.8616    1.2851 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6129   -1.7360   -0.0654 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750   -0.6847   -0.4644 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2722   -1.0112    0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1990    0.6283    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744   -0.4158    0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5633    0.4684    0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7011    0.0695   -0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6627   -0.6326   -1.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0711   -1.9629   -0.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2813   -1.1046    1.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5201   -1.5668   -0.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2914   -2.6347   -0.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5614   -1.4238    0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1657   -0.4931    1.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069    1.4873    0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8278    2.3821   -0.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5352    0.7552   -0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -0.9385   -0.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
$$$$

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