Molecule FYI-1003395

A

Molecule Summary:

ID: FYI-1003395
Names:
InChIKey: HDQHVSLMLCHUKS-FNBFQGCMSA-N
SMILES: CC(C)NC(=O)[C@@H](O)OC(CO)C(O)C(=O)NC(C)C.Nc2ccc(NC(=O)[C@@H](O)O[C@H](CO)[C@H](O)C(=O)Nc1ccc(N)cc1)cc2

Received at FYIcenter.com on: 2023-06-12

Molecule ID: FYI-1003395 Edit

Molecule Structure InChIKey: HDQHVSLMLCHUKS-FNBFQGCMSA-N

Molecule Structure SMILES String: CC(C)NC(=O)[C@@H](O)OC(CO)C(O)C(=O)NC(C)C.Nc2ccc(NC(=O)[C@@H](O)O[C@H](CO)[C@H](O)C(=O)Nc1ccc(N)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003395
FYIcenter.com

 48 48  0  0  1  0  0  0  0  0999 V2000
    6.5488    4.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5488    5.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    3.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2482    4.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1239    4.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0358    2.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1239    5.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0358    3.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8232    4.5579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6108    2.4579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9115    3.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6108    3.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3984    5.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3984    4.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7611    3.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7611    2.4579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9735    1.7579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9735    4.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1860    3.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1860    2.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 N   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   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    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 11  5  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 15  1  1  0  0  0  0
 15 16  1  6  0  0  0
 17 20  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 22  1  1  0  0  0
 23 27  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 41  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 43 30  1  1  0  0  0
 31 29  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 28  1  0  0  0  0
 35 39  1  0  0  0  0
 36 48  1  0  0  0  0
 37 32  1  0  0  0  0
 36 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 41 21  1  0  0  0  0
 41 42  1  6  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 44  1  0  0  0  0
 40 47  1  0  0  0  0
 48 46  1  0  0  0  0
 47 48  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003395-3D
FYIcenter.com

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2023-07-01, 1903👍, 0💬