Molecule FYI-1014475

A

Molecule Summary:

ID: FYI-1014475
Names:
InChIKey: PJWCCPQHVDKFDO-GHLFJELRSA-O
SMILES: CCC(=O)N[C@@H](C=O)[C@@H](O[C@@H]1O[C@H](OC)[C@H](O)[C@H](O)[C@H]1O)[C@H](O[C@@H]3O[C@@H](COC[S+]2CCC2)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)C[S+](C)C

Received at FYIcenter.com on: 2025-04-21

Molecule ID: FYI-1014475 Edit

Molecule Structure InChIKey: PJWCCPQHVDKFDO-GHLFJELRSA-O

Molecule Structure SMILES String: CCC(=O)N[C@@H](C=O)[C@@H](O[C@@H]1O[C@H](OC)[C@H](O)[C@H](O)[C@H]1O)[C@H](O[C@@H]3O[C@@H](COC[S+]2CCC2)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)C[S+](C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014475
FYIcenter.com

 45 47  0  0  1  0  0  0  0  0999 V2000
   13.8390   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6266    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6266    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6266    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2638   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2638    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2638    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7769    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5643    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9270    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    3.5000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    0.3623    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5643    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7769    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7769    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7769    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7769    8.4000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    6.5643    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7769    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  6  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
  9 10  1  1  0  0  0
 11 10  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  6  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 16 17  1  6  0  0  0
 18 16  1  0  0  0  0
 18 19  1  6  0  0  0
 20 18  1  0  0  0  0
 20 11  1  0  0  0  0
 20 21  1  1  0  0  0
 22  9  1  0  0  0  0
 22 23  1  6  0  0  0
 24 23  1  1  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  6  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 30  1  0  0  0  0
 34 26  1  0  0  0  0
 34 35  1  6  0  0  0
 36 34  1  0  0  0  0
 36 37  1  6  0  0  0
 38 36  1  0  0  0  0
 38 24  1  0  0  0  0
 38 39  1  1  0  0  0
 40 22  1  0  0  0  0
 40 41  1  6  0  0  0
 42 40  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 43  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014475-3D
FYIcenter.com

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