Molecule FYI-1001208

A
Molecule Summary:
ID: FYI-1001208
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(O)=O
Received at FYIcenter.com on: 2022-03-13
Molecule ID: FYI-1001208 Edit
Molecule Structure SMILES String: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H
Download SDF Download SVG Structure in 2D SDF:
Image not available
FYI-1001208
FYIcenter.com

155160  0  0  1  0  0  0  0  0999 V2000
   40.4609   26.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4609   24.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6733   24.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8857   24.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6733   22.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4609   21.9318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.4609   20.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6733   19.8318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.2484   19.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0360   20.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0360   21.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8236   22.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6111   21.9318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.8236   24.0318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.2484   18.4318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   38.0360   17.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8236   18.4318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0360   16.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2484   15.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2484   14.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4609   13.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6733   14.2318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.4609   12.1318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.8236   15.6318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.8236   14.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0360   13.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.6111   13.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6111   12.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8236   11.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8236   10.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0360    9.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2484   10.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2484   11.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0360   12.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3987   14.2318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.1862   13.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1862   12.1318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9738   14.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9738   15.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1862   16.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3987   15.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.1862   17.7318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7614   13.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.5489   14.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5489   15.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3365   13.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1240   14.2318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9116   13.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9116   12.1318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6992   14.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6992   15.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9116   16.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1240   15.6318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9116   17.7318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4867   13.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2743   14.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2743   15.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0619   13.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8494   14.2318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6370   13.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6370   12.1318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4245   14.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2121   13.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9997   14.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9997   15.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7872   13.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5748   14.2318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3624   13.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3624   12.1318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1499   14.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   13.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   14.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7250   15.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5126   13.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2337   14.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2969   13.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9969   11.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3663   12.1394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4067   11.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7382   11.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1156    9.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7842    9.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7438   10.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    9.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719   10.8415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404   10.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.3457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    9.0395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1560    8.8964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875    9.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7785   10.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5279    8.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8973    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5973    7.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6605    6.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3816    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1691    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9567    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1691    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3816    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9567    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9567    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7443    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7443    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9567    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1691    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1691    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8857   21.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8857   20.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.0982   22.6318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.2445   24.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.6139   24.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.3139   23.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3771   22.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.6682   20.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6278   19.7562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.9997   20.2603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   47.2907   18.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.2504   17.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.9189   18.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8785   17.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5470   17.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.1696   16.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.6222   18.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.6626   19.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.9133   17.0889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   50.2448   16.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.5359   15.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.8674   14.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.1585   13.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.1181   12.5480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   53.4900   13.0522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   51.2852   17.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.6167   17.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.9941   18.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   52.0345   19.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.7435   21.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.7839   22.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.4928   23.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.5332   24.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.8647   24.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.9050   25.0158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   55.1558   22.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.1154   21.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.3660   19.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.6571   18.0972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   54.4064   20.4033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   55.7379   19.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.7783   20.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   58.1098   20.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   58.4009   19.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   59.1502   21.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.0290   18.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.9886   17.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   57.3605   18.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  5  6  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  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
 14 12  2  0  0  0  0
  9 15  1  1  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  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 21  2  0  0  0  0
 18 24  1  6  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  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 29  1  0  0  0  0
 27 35  1  6  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  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
 42 40  2  0  0  0  0
 38 43  1  1  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  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  1  0  0  0  0
 54 52  2  0  0  0  0
 50 55  1  1  0  0  0
 56 55  1  0  0  0  0
 57 56  2  0  0  0  0
 58 56  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  2  0  0  0  0
 62 60  1  0  0  0  0
 63 62  1  0  0  0  0
 64 63  1  0  0  0  0
 65 64  2  0  0  0  0
 66 64  1  0  0  0  0
 67 66  1  0  0  0  0
 68 67  1  0  0  0  0
 69 68  2  0  0  0  0
 70 68  1  0  0  0  0
 71 70  1  0  0  0  0
 72 71  1  0  0  0  0
 73 72  2  0  0  0  0
 74 72  1  1  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  1  0  0  0  0
 78 74  1  0  0  0  0
 79 78  1  0  0  0  0
 80 79  2  0  0  0  0
 81 79  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  1  0  0  0  0
 87 86  1  0  0  0  0
 88 86  2  0  0  0  0
 81 89  1  1  0  0  0
 90 89  1  0  0  0  0
 91 90  2  0  0  0  0
 92 90  1  6  0  0  0
 93 92  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
 96 92  1  0  0  0  0
 97 96  1  0  0  0  0
 98 97  2  0  0  0  0
 99 97  1  0  0  0  0
 99100  1  6  0  0  0
101 99  1  0  0  0  0
102101  1  0  0  0  0
103102  2  0  0  0  0
104103  1  0  0  0  0
105104  2  0  0  0  0
106105  1  0  0  0  0
107106  2  0  0  0  0
107102  1  0  0  0  0
108  5  1  0  0  0  0
109108  2  0  0  0  0
110108  1  0  0  0  0
111110  1  0  0  0  0
112111  1  0  0  0  0
113112  1  0  0  0  0
114113  1  0  0  0  0
114110  1  0  0  0  0
114115  1  1  0  0  0
116115  2  0  0  0  0
117115  1  0  0  0  0
118117  1  6  0  0  0
119118  1  0  0  0  0
120119  1  0  0  0  0
121120  1  0  0  0  0
122121  1  0  0  0  0
123121  2  0  0  0  0
124118  1  0  0  0  0
125124  2  0  0  0  0
126124  1  0  0  0  0
127126  1  6  0  0  0
128127  1  0  0  0  0
129128  1  0  0  0  0
130129  1  0  0  0  0
131130  1  0  0  0  0
132130  2  0  0  0  0
133127  1  0  0  0  0
134133  2  0  0  0  0
135133  1  0  0  0  0
136135  1  1  0  0  0
137136  1  0  0  0  0
138137  1  0  0  0  0
139138  2  0  0  0  0
140139  1  0  0  0  0
141140  2  0  0  0  0
142141  1  0  0  0  0
143141  1  0  0  0  0
144143  2  0  0  0  0
144138  1  0  0  0  0
145136  1  0  0  0  0
146145  2  0  0  0  0
147145  1  0  0  0  0
148147  1  1  0  0  0
149148  1  0  0  0  0
150149  1  0  0  0  0
151150  1  0  0  0  0
152150  1  0  0  0  0
153148  1  0  0  0  0
154153  1  0  0  0  0
155153  2  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2022-04-21, 661👍, 0💬