Molecule FYI-1014575

A

Molecule Summary:

ID: FYI-1014575
Names:
InChIKey: TULNGKSILXCZQT-IMJSIDKUSA-N
SMILES: N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)O

Received at FYIcenter.com on: 2025-04-29

Molecule ID: FYI-1014575 Edit

Molecule Structure InChIKey: TULNGKSILXCZQT-IMJSIDKUSA-N

Molecule Structure SMILES String: N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014575
FYIcenter.com

 15 14  0  0  1  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 15  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  1  0  0  0
 10 15  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014575-3D
FYIcenter.com

 27 26  0     1  0  0  0  0  0999 V2000
   -4.1605    0.9745   -0.1896 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4329    0.0686    1.4547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1642    2.5020   -0.7177 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200    2.9242    0.4683 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9647   -1.6152   -0.5731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2506   -1.8604    0.8955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0844   -0.0660   -0.4280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9798   -2.4687   -0.3152 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0556    0.6155    0.1385 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2965   -1.0524   -0.5133 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3598    0.1339   -0.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2506   -0.2845    0.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7248   -0.7868   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9253    2.1225   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8176   -1.2071    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0592    0.4210    1.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2088   -0.8068   -1.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1682    0.8452   -0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2476    0.0532   -1.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0451   -0.3425   -1.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8498   -1.0650    1.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4448   -1.3687   -0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0674   -2.6744   -0.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6510   -3.0431   -0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4085    0.8654    0.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2285    3.4775   -0.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2686   -2.4831   -0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 25  1  0  0  0  0
  2 12  2  0  0  0  0
  3 14  1  0  0  0  0
  3 26  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  1  0  0  0  0
  5 27  1  0  0  0  0
  6 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1241👍, 0💬