Molecule FYI-1010859

A

Molecule Summary:

ID: FYI-1010859
Names:
InChIKey: OGPVNMCZOXNJEF-JIXNLBNFSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)c4nc(c3csc(c2nc(c1coc([C@@H](NC(=O)/C(=N/O)C(C)C)C(C)C)n1)oc2C)n3)oc4C)C(=O)OC

Received at FYIcenter.com on: 2024-07-16

Molecule ID: FYI-1010859 Edit

Molecule Structure InChIKey: OGPVNMCZOXNJEF-JIXNLBNFSA-N

Molecule Structure SMILES String: CC[C@H](C)[C@H](NC(=O)c4nc(c3csc(c2nc(c1coc([C@@H](NC(=O)/C(=N/O)C(C)C)C(C)C)n1)oc2C)n3)oc4C)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1010859
FYIcenter.com

 47 50  0  0  1  0  0  0  0  0999 V2000
   16.9389    0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5083    1.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6854    2.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2931    2.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2548    3.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6472    4.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2166    5.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4701    2.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8624    3.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4319    5.0754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0014    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3937    6.5007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1784    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6111    8.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4784    9.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3458    8.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7784    7.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0144    9.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5818   10.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1818   10.5826    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7492    9.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8818    8.4282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4177    8.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2851    9.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1524    8.8185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5851    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9851    7.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9296    5.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    5.0229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   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 C   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
    8.2851   11.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9426    9.2511    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
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  5 10  1  6  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 23  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 28  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 33 37  1  6  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 40  1  0  0  0  0
 44 43  1  0  0  0  0
 45 43  1  0  0  0  0
 46 24  1  0  0  0  0
 47 14  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-07-25, 1079👍, 0💬