Molecule FYI-1001084

A
Molecule Summary:
ID: FYI-1001084
SMILES: C.C[C@H]1CCN2CCCNC2=[NH+]1.NC(=O)O[C@H](C)C(/C)=C/[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)CC=1C(=O)C(NC(=O)C(\\C)=C\\C=C/COC)=CC(=O)C=1NCCCNC(=O)CCCN1C(=O)CC(SCC)C1=O
Received at FYIcenter.com on: 2021-12-06
Molecule ID: FYI-1001084 Edit
Molecule Structure SMILES String: C.C[C@H]1CCN2CCCNC2=[NH+]1.NC(=O)O[C@H](C)C(/C)=C/[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)CC=1C(=O)C(NC(=O)C(C)=CC=C/COC)=CC(=O)C=1NCCCNC(=O)CCCN1C(=O)CC(SCC)C1=O
Download SDF Download SVG Structure in 2D SDF:
FYI-1001084
FYIcenter.com

 71 72  0  0  1  0  0  0  0  0999 V2000
   22.2186   10.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0010   16.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6221   15.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7223   17.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3435   16.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8647   15.4504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4859   15.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0071   13.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9071   12.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2858   13.0624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7646   14.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1433   14.6211    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.3986    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0986    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3986    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4986    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1986    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4986    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5986    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2986    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2986    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5986    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1986    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2986    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6986    6.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5986    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1986    7.2747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4986    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2986    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5986    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1986    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2986   10.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5986   12.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2986   13.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6986   13.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5986   14.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2986   15.7618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6986   15.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3986   14.5492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3986   16.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6986   18.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7986   16.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4986   15.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8986   15.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5986   16.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9986   16.9742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6986   18.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1986   14.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4986   13.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0986   13.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1986   12.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4986   10.9120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0986   10.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3986    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9986    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2986    8.4871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8986    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1986    9.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1986    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7986    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0986    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6986    6.0623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8756    4.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3082    3.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5441    5.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5441    6.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    7.5852    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8756    7.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3082    8.5263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  6  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 12  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  6  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  6  0  0  0
 24 22  1  0  0  0  0
 24 25  1  6  0  0  0
 26 24  1  0  0  0  0
 26 27  1  1  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  1  0  0  0  0
 30 31  1  6  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  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  1  0  0  0  0
 42 40  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 36  2  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 51 49  1  0  0  0  0
 51 33  2  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  1  0  0  0  0
 56 55  1  0  0  0  0
 57 56  1  0  0  0  0
 58 57  2  0  0  0  0
 59 57  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  1  0  0  0  0
 62 61  1  0  0  0  0
 63 62  1  0  0  0  0
 64 63  2  0  0  0  0
 65 63  1  0  0  0  0
 66 65  1  0  0  0  0
 67 66  1  0  0  0  0
 68 67  1  0  0  0  0
 69 68  1  0  0  0  0
 70 66  1  0  0  0  0
 70 62  1  0  0  0  0
 71 70  2  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2022-04-13, 3016👍, 0💬