Molecule FYI-1001071

A
Molecule Summary:
ID: FYI-1001071
SMILES: C.C[C@H]1CCN2CCCNC2=[NH+]1.CCSC[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-1001071 Edit
Molecule Structure SMILES String: C.C[C@H]1CCN2CCCNC2=[NH+]1.CCSC[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:
Image not available
FYI-1001071
FYIcenter.com

 99102  0  0  1  0  0  0  0  0999 V2000
   20.5885   11.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6113   17.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5112   16.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0323   15.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9322   14.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3110   14.3286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2109   13.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5896   13.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0685   14.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1686   15.8873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7899   15.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8899   16.7167    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   20.8383   16.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8383   17.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6259   18.5884    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.6259   19.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4135   20.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4135   22.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2011   22.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9887   22.0884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7762   22.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5638   22.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5638   20.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7762   19.9884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9887   20.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2011   19.9884    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.2435   24.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9280   23.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6848   22.4435    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3693   21.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1262   20.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8105   20.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5675   18.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6399   17.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3969   16.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4693   15.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7849   16.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0279   17.4073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9555   18.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1987   19.6860    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9290    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4290    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1290    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1290    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5290    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5290    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6290    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3290    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3290    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6290    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7290    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4290    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7290    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8290    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5290    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9290    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6290    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6290    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0290    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7290    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0290    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1290    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8290    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8290    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1290    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8290    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2290    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9290    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3290    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9290    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5290    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8290    9.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8290    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4290    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7290    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3290    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6290    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290    9.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5290   10.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290   12.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1290   10.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4290   12.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290   12.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290   13.3368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368   13.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.4427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457   14.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581   15.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0044   16.9449    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8718   17.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0182   19.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8986   14.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2679   14.9068    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  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  6  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 39 34  1  0  0  0  0
 40 39  2  0  0  0  0
 40 31  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 42  1  0  0  0  0
 45 44  1  6  0  0  0
 46 45  1  0  0  0  0
 47 45  1  0  0  0  0
 48 47  1  0  0  0  0
 49 47  2  0  0  0  0
 50 49  1  0  0  0  0
 50 51  1  6  0  0  0
 52 50  1  0  0  0  0
 52 53  1  6  0  0  0
 54 52  1  0  0  0  0
 54 55  1  1  0  0  0
 56 55  1  0  0  0  0
 57 54  1  0  0  0  0
 58 57  1  0  0  0  0
 58 59  1  6  0  0  0
 60 58  1  0  0  0  0
 61 60  1  0  0  0  0
 62 61  1  0  0  0  0
 63 62  2  0  0  0  0
 64 62  1  0  0  0  0
 65 64  1  0  0  0  0
 66 65  1  0  0  0  0
 67 66  2  0  0  0  0
 68 66  1  0  0  0  0
 69 68  1  0  0  0  0
 70 68  2  0  0  0  0
 71 70  1  0  0  0  0
 72 71  2  0  0  0  0
 73 72  1  0  0  0  0
 74 73  1  0  0  0  0
 75 74  1  0  0  0  0
 76 64  2  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
 79 61  2  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 83  1  0  0  0  0
 85 84  1  0  0  0  0
 86 85  2  0  0  0  0
 87 85  1  0  0  0  0
 88 87  1  0  0  0  0
 89 88  1  0  0  0  0
 90 89  1  0  0  0  0
 91 90  1  0  0  0  0
 92 91  2  0  0  0  0
 93 91  1  0  0  0  0
 94 93  1  0  0  0  0
 95 94  1  0  0  0  0
 96 95  1  0  0  0  0
 97 96  1  0  0  0  0
 98 94  1  0  0  0  0
 98 90  1  0  0  0  0
 99 98  2  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2022-04-13, 1269👍, 0💬