Molecule FYI-1010252

A
Molecule Summary:
ID: FYI-1010252
Names:
InChIKey: HHDQRNAQGXUIRL-ZUVLKGGBSA-N
SMILES: C/C=C/3NC(=O)C(C)NC(=O)C(CO)NC(=O)[C@@H](NC(=O)/C(=C/C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C1CCCN1C(=O)/C(=C/C)NC(=O)CC(O)CCCCCCCCC)C(C)C)C(C)C)C(C)C)[C@H](C)OC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(C)NC3=O
Received at FYIcenter.com on: 2024-06-03
Molecule ID: FYI-1010252 Edit
Molecule Structure InChIKey: HHDQRNAQGXUIRL-ZUVLKGGBSA-N
Molecule Structure SMILES String: C/C=C/3NC(=O)C(C)NC(=O)C(CO)NC(=O)[C@@H](NC(=O)/C(=C/C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C1CCCN1C(=O)/C(=C/C)NC(=O)CC(O)CCCCCCCCC)C(C)C)C(C)C)C(C)C)[C@H](C)OC(=O)C(Cc2ccc
Download SDF Download SVG Structure in 2D SDF:
Image not available
FYI-1010252
FYIcenter.com

155157  0  0  1  0  0  0  0  0999 V2000
   45.6701    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.9613    1.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.9206    2.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.2117    3.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1709    4.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4621    5.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4214    6.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7126    8.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6717    9.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9629   10.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9222   11.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2134   12.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5453   13.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.1726   13.8422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.8406   13.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5494   12.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5902   11.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7998   14.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0910   15.7164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4678   13.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.0350   12.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6346   12.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2018   13.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3349   14.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3349   16.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5477   16.8377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1220   16.8377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1220   18.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3349   18.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3349   20.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5477   18.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9090   18.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9090   20.3390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6962   18.2383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4833   18.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2704   18.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2704   16.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4833   16.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0576   16.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4833   20.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2704   21.0393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6962   21.0393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6962   22.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9090   23.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4833   23.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4833   24.5405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2704   22.4398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0576   23.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0576   24.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8447   22.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8447   21.0393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6318   23.1400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4190   22.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2061   23.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9932   22.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9932   21.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7803   23.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4190   21.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2061   20.3390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6318   20.3390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6318   18.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8447   18.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0576   18.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8447   16.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4190   18.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2061   18.9385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4190   16.8377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2061   16.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2061   14.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9932   16.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9932   18.2383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7803   16.1374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7803   14.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9932   14.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5674   14.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5674   12.6362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3545   14.7370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1417   14.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1417   12.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9288   11.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3545   11.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9288   14.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7159   14.0367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9288   16.1374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7159   16.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7159   18.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5031   16.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5031   14.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2902   16.8377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0773   16.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0773   14.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8645   16.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6515   16.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8645   18.2383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6515   18.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4386   18.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4386   16.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6515   20.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4386   21.0393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8645   21.0393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8645   22.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4749   22.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1728   23.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0398   23.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0810   22.9331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1470   25.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5507   26.3004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2884   27.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8906   27.5881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3763   29.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8091   30.4058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5595   31.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4803   32.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5803   32.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8077   33.2217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1642   33.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9886   34.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5647   33.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9212   33.2217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1485   32.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9717   33.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1694   31.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2485   32.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5611   31.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9199   30.4058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3526   29.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7283   29.3363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4406   27.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1781   26.3004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5818   25.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7643   24.2827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6891   23.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5560   23.1309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2539   22.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6021   21.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6478   22.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2430   21.5924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8383   27.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7402   34.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7571   33.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3269   34.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5037   36.0925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0005   29.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5399   30.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643   30.9212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646   24.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7234   24.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5409   24.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998   24.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411   26.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237   26.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6647   26.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   26.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1682   21.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2949   11.0308    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
  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
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  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
 24 20  1  0  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  1  0  0  0  0
 31 29  1  0  0  0  0
 32 28  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  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 37  1  0  0  0  0
 40 35  1  0  0  0  0
 41 40  2  0  0  0  0
 42 40  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 43  1  0  0  0  0
 46 45  2  0  0  0  0
 47 45  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
 51 50  2  0  0  0  0
 52 50  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 55  1  0  0  0  0
 58 53  1  0  0  0  0
 59 58  2  0  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  1  0  0  0  0
 64 62  1  0  0  0  0
 65 61  1  0  0  0  0
 66 65  2  0  0  0  0
 67 65  1  0  0  0  0
 68 67  1  0  0  0  0
 69 68  1  0  0  0  0
 70 68  1  0  0  0  0
 71 70  2  0  0  0  0
 72 70  1  0  0  0  0
 73 72  1  0  0  0  0
 74 73  1  0  0  0  0
 75 73  1  0  0  0  0
 76 75  2  0  0  0  0
 77 75  1  0  0  0  0
 78 77  1  0  0  0  0
 79 78  1  0  0  0  0
 80 79  1  0  0  0  0
 81 79  1  0  0  0  0
 82 78  1  0  0  0  0
 83 82  2  0  0  0  0
 84 82  1  0  0  0  0
 85 84  1  0  0  0  0
 86 85  1  0  0  0  0
 87 85  1  0  0  0  0
 88 87  2  0  0  0  0
 89 87  1  0  0  0  0
 90 89  1  0  0  0  0
 91 90  1  0  0  0  0
 92 90  1  0  0  0  0
 93 92  2  0  0  0  0
 94 92  1  0  0  0  0
 95 94  1  0  0  0  0
 96 95  2  0  0  0  0
 97 96  1  0  0  0  0
 98 95  1  0  0  0  0
 99 98  2  0  0  0  0
100 98  1  0  0  0  0
101100  1  1  0  0  0
102101  1  0  0  0  0
103102  1  0  0  0  0
104103  1  0  0  0  0
105104  2  0  0  0  0
106104  1  0  0  0  0
107106  1  0  0  0  0
108107  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  2  0  0  0  0
114112  1  0  0  0  0
115114  1  0  0  0  0
116115  1  0  0  0  0
117116  2  0  0  0  0
118116  1  0  0  0  0
119118  1  0  0  0  0
120119  1  0  0  0  0
121120  2  0  0  0  0
122120  1  0  0  0  0
123122  2  0  0  0  0
124123  1  0  0  0  0
125122  1  0  0  0  0
126125  1  0  0  0  0
127126  2  0  0  0  0
128126  1  0  0  0  0
129128  1  0  0  0  0
130129  1  0  0  0  0
131130  2  0  0  0  0
132130  1  0  0  0  0
133132  1  0  0  0  0
134133  1  0  0  0  0
134101  1  0  0  0  0
135134  2  0  0  0  0
136132  1  0  0  0  0
137136  1  0  0  0  0
138128  1  0  0  0  0
139118  1  0  0  0  0
140114  1  0  0  0  0
141140  1  0  0  0  0
142141  1  0  0  0  0
143110  1  0  0  0  0
144143  1  0  0  0  0
145144  1  0  0  0  0
146106  1  0  0  0  0
147146  1  0  0  0  0
148147  2  0  0  0  0
149148  1  0  0  0  0
150149  2  0  0  0  0
151150  1  0  0  0  0
152151  2  0  0  0  0
152147  1  0  0  0  0
153150  1  0  0  0  0
102154  1  6  0  0  0
155 10  1  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2024-07-11, 930👍, 0💬