Molecule FYI-1001069

A
Molecule Summary:
ID: FYI-1001069
SMILES: C.C[C@H]1CCN2CCCNC2=[NH+]1.CCSC[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: 2021-11-25
Molecule ID: FYI-1001069 Edit
Molecule Structure SMILES String: C.C[C@H]1CCN2CCCNC2=[NH+]1.CCSC[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-1001069
FYIcenter.com

 85 87  0  0  1  0  0  0  0  0999 V2000
   22.9186   11.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5328   14.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5328   16.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7452   16.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7452   18.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5328   18.9530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5328   20.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3204   21.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1079   20.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1079   18.9530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3204   18.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3204   16.8530    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9103   20.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0103   19.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4893   18.4634    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5893   17.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0681   16.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1682   15.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470   13.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0258   13.4441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5046   12.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8834   11.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7832   12.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3044   14.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9257   14.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4469   15.8322    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    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3986    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4986    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1986    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4986    3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5986    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2986    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2986    3.6372    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    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6986    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5986    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1986    7.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4986    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2986    8.4870    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   10.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5986   12.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2986   13.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6986   13.3367    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   15.7616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6986   15.7616    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   16.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6986   18.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7986   16.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4986   15.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8986   15.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5986   16.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9986   16.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6986   18.1865    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   13.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0986   13.3367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1986   12.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4986   10.9119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0986   10.9119    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    8.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8986    8.4870    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    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7986    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0986    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6986    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8756    4.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3082    3.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5442    5.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5442    6.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    7.5851    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    7.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8756    7.1948    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  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  6  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  2  0  0  0  0
 26 17  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  6  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 33  2  0  0  0  0
 36 35  1  0  0  0  0
 36 37  1  6  0  0  0
 38 36  1  0  0  0  0
 38 39  1  6  0  0  0
 40 38  1  0  0  0  0
 40 41  1  1  0  0  0
 42 41  1  0  0  0  0
 43 40  1  0  0  0  0
 44 43  1  0  0  0  0
 44 45  1  6  0  0  0
 46 44  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
 50 48  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  2  0  0  0  0
 54 52  1  0  0  0  0
 55 54  1  0  0  0  0
 56 54  2  0  0  0  0
 57 56  1  0  0  0  0
 58 57  2  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  1  0  0  0  0
 62 50  2  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
 65 47  2  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 69  1  0  0  0  0
 71 70  1  0  0  0  0
 72 71  2  0  0  0  0
 73 71  1  0  0  0  0
 74 73  1  0  0  0  0
 75 74  1  0  0  0  0
 76 75  1  0  0  0  0
 77 76  1  0  0  0  0
 78 77  2  0  0  0  0
 79 77  1  0  0  0  0
 80 79  1  0  0  0  0
 81 80  1  0  0  0  0
 82 81  1  0  0  0  0
 83 82  1  0  0  0  0
 84 80  1  0  0  0  0
 84 76  1  0  0  0  0
 85 84  2  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2022-04-13, 1843👍, 0💬