Molecule FYI-1001062

A
Molecule Summary:
ID: FYI-1001062
SMILES: C.CC.C[C@H]1CCN2CCCNC2=[NH+]1.CCSC[C@H]1CCN2CCCNC2=[NH+]1.CCSC[C@H]1CCN2CCCNC2=[NH+]1.O=C1OCCC(C)C1CO.O=C1CC(SCC)C(=O)N1CCCC(=O)NCCC1C[C@H](O)[C@@]23O[C@@H]2C[C@@H]2[C@H](CC[C@]4(C)CCC[C@@H]24)[C@@]3(C)C1=O
Received at FYIcenter.com on: 2021-11-23
Molecule ID: FYI-1001062 Edit
Molecule Structure SMILES String: C.CC.C[C@H]1CCN2CCCNC2=[NH+]1.CCSC[C@H]1CCN2CCCNC2=[NH+]1.CCSC[C@H]1CCN2CCCNC2=[NH+]1.O=C1OCCC(C)C1CO.O=C1CC(SCC)C(=O)N1CCCC(=O)NCCC1C[C@H](O)[C@@]23O[C@@H]2C[C@@H]2[C@H](CC[C@]4(C)CCC[C@@H]24)[C@@]3(C)C1=O
Download SDF Download SVG Structure in 2D SDF:
FYI-1001062
FYIcenter.com

 92 98  0  0  1  0  0  0  0  0999 V2000
   22.0943   12.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4110    8.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6542    9.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3553   17.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6709   18.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7434   17.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0589   17.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3021   19.1697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6176   19.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8607   21.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7882   21.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4727   21.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2296   20.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9140   19.5907    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.1630   25.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8474   25.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7750   24.6813    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4594   25.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3869   24.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0714   24.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9989   23.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2420   22.4605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1695   21.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4127   20.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7282   19.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8007   20.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5576   21.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6301   22.8816    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5398   18.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   17.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7522   16.6583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7522   15.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9647   14.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9647   13.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1771   12.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3896   13.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6021   12.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8145   13.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8145   14.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6021   15.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3896   14.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1771   15.2583    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   17.1863   15.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9432   14.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6276   13.7821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3846   12.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4570   11.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7726   11.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8450   11.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0156   13.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3313   13.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5743   15.2186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8003   10.3185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4011   10.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5393   11.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2237   10.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0631   11.6769    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1607   13.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2726    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1694    8.6329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6184    9.1089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0972    7.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4759    7.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9547    6.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    5.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2333    7.0641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8123    4.6760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1910    4.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6698    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0486    2.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5275    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9062    1.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3850    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8061    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2849    1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1848    2.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0847    3.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6059    4.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2271    4.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7483    6.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6483    7.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0270    6.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6883    8.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1302    7.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2908    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9049    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5058    5.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3272    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8484    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9485    3.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4697    5.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  5  4  1  6  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  6  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
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
 28 19  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  6  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
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 41 36  1  0  0  0  0
 42 41  2  0  0  0  0
 42 33  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 47  1  0  0  0  0
 49 48  1  0  0  0  0
 50 48  1  0  0  0  0
 50 44  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 54 53  2  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  1  0  0  0  0
 59 58  1  0  0  0  0
 60 56  1  0  0  0  0
 61 60  2  0  0  0  0
 62 60  1  0  0  0  0
 62 54  1  0  0  0  0
 63 62  1  0  0  0  0
 64 63  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 69  1  0  0  0  0
 71 70  1  0  0  0  0
 72 71  1  0  0  0  0
 73 72  1  0  0  0  0
 73 74  1  1  0  0  0
 75 73  1  0  0  0  0
 75 76  1  1  0  0  0
 77 76  1  1  0  0  0
 77 75  1  0  0  0  0
 78 77  1  0  0  0  0
 79 78  1  6  0  0  0
 80 79  1  0  0  0  0
 80 81  1  1  0  0  0
 82 81  1  0  0  0  0
 83 82  1  0  0  0  0
 83 84  1  1  0  0  0
 85 83  1  0  0  0  0
 86 85  1  0  0  0  0
 87 86  1  0  0  0  0
 88 87  1  1  0  0  0
 88 79  1  0  0  0  0
 88 83  1  0  0  0  0
 89 80  1  0  0  0  0
 89 75  1  0  0  0  0
 89 90  1  1  0  0  0
 91 89  1  0  0  0  0
 91 71  1  0  0  0  0
 92 91  2  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2022-04-02, 2473👍, 0💬