Molecule FYI-1014572

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A

Molecule Summary:

ID: FYI-1014572
Names:
InChIKey: PBUXMVYWOSKHMF-WDSKDSINSA-N
SMILES: CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)O

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

Molecule ID: FYI-1014572 Edit

Molecule Structure InChIKey: PBUXMVYWOSKHMF-WDSKDSINSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014572
FYIcenter.com

 15 14  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 O   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 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   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 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  6  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  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014572-3D
FYIcenter.com

 31 30  0     1  0  0  0  0  0999 V2000
   -3.6715   -1.8315   -0.6620 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8382   -0.1386   -1.5846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    2.2650    1.5065 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.5627    0.0329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0642    2.8628   -0.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4568    0.3110    0.2232 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999   -2.2486    0.7347 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5847    0.9684   -0.5301 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6240   -0.0330   -1.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5406   -0.8595    0.6215 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4810   -0.6583    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -0.1954   -0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270    2.1093    0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9982   -0.8003    0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5088   -2.3140    0.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000    1.4410   -1.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1100   -0.8224   -1.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2811    0.4890   -1.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3269    0.1976    1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4464   -0.3525    1.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8484   -1.1935    0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0382    0.1145    0.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1430   -1.2930   -0.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6558   -1.2740    0.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1613   -2.2785    1.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7007   -2.7452    1.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1796    3.0244    1.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7997   -2.7694    1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2866   -3.0464    0.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9789   -1.4453    1.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3162    0.5671   -0.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  1  0  0  0  0
  3 27  1  0  0  0  0
  4 14  1  0  0  0  0
  4 31  1  0  0  0  0
  5 13  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$

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