Molecule FYI-1014571

A

Molecule Summary:

ID: FYI-1014571
Names:
InChIKey: YHDXIZKDOIWPBW-WHFBIAKZSA-N
SMILES: NC(=O)CC[C@H](NC(=O)[C@@H](N)CS)C(=O)O

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

Molecule ID: FYI-1014571 Edit

Molecule Structure InChIKey: YHDXIZKDOIWPBW-WHFBIAKZSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014571
FYIcenter.com

 16 15  0  0  1  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3 16  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  6  0  0  0
 10 16  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014571-3D
FYIcenter.com

 31 30  0     1  0  0  0  0  0999 V2000
   -4.8719   -0.5308   -0.3263 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3310   -2.5457    1.3869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309    0.3756   -1.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7061   -3.0139   -0.3474 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6155    1.6250   -1.1834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -0.3862    0.2655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1567    2.2113    0.9914 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2089    1.7114    1.0390 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3405   -1.0255   -0.4985 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4768   -0.0484   -0.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970    0.3783    0.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7187    0.8937    0.6848 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7670    0.2717   -0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8765   -2.2778    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1374    1.0701    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4310    1.2910   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1119   -1.3632   -1.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0659    0.8414   -1.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1480   -0.5237   -1.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6303   -0.3999    1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660    0.9127    1.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7329   -0.4903    0.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7411    0.2874    1.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1459    1.7085   -0.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7855    1.5366    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2497    2.0987    1.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7522    2.6875    1.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6898   -3.3714    1.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0279    1.4212    1.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9986    2.3311    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0507   -0.0425   -0.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 31  1  0  0  0  0
  2 14  1  0  0  0  0
  2 28  1  0  0  0  0
  3 13  2  0  0  0  0
  4 14  2  0  0  0  0
  5 16  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 16  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 1740👍, 0💬