Molecule FYI-1010369

A

Molecule Summary:

ID: FYI-1010369
Names:
InChIKey: IDJQDBKNSIDYDH-UHFFFAOYSA-N
SMILES: C=CCCCC3OC(=O)C(C(C)CC)NC(=O)C1CCCN1C(=O)C(Cc2ccccc2)OC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C3C

Received at FYIcenter.com on: 2024-06-05

Molecule ID: FYI-1010369 Edit

Molecule Structure InChIKey: IDJQDBKNSIDYDH-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCCCC3OC(=O)C(C(C)CC)NC(=O)C1CCCN1C(=O)C(Cc2ccccc2)OC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010369
FYIcenter.com

 52 54  0  0  0  0  0  0  0  0999 V2000
    3.3753   11.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6243   10.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7015    8.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5294    8.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9506    8.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5327    7.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1460    7.2195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5713    5.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9523    3.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1449    2.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6181    1.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5110    2.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    2.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1687    2.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9664    1.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1720    3.9243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8043    5.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9965    6.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3959    6.5988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7281    7.9342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0281    9.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9724   10.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7056   11.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6753   10.5930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1807   11.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0950   12.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9188   12.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2774   10.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9303   10.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3328   11.5553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7798    9.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1088   10.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4199    9.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5007   10.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8118    9.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0422    8.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9614    7.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6503    8.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1404    4.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4466    3.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1704    5.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3002    3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2834    1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3072    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6406    0.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0327    2.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6166    0.0000 C   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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 25  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 32  5  1  0  0  0  0
 33 22  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 39 34  1  0  0  0  0
 40 18  1  0  0  0  0
 41 40  1  0  0  0  0
 42 40  1  0  0  0  0
 43 17  1  0  0  0  0
 44 14  1  0  0  0  0
 45 44  1  0  0  0  0
 46 44  1  0  0  0  0
 47 10  1  0  0  0  0
 48  9  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010369-3D
FYIcenter.com

112114  0  0  1  0  0  0  0  0999 V2000
    3.8643   -5.6103    4.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6244   -4.6546    4.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3367   -3.5254    4.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2462   -3.4368    2.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9346   -2.1793    2.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4511   -2.0747    1.9538 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5385   -1.6534    2.9573 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1818   -2.4875    3.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5419   -3.2369    4.5715 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7851   -2.3762    4.0283 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8936   -1.9067    2.9192 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3833   -2.7971    1.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8201   -0.5051    2.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1727    0.5916    3.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0565   -1.8146    5.4795 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3784   -2.1052    6.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3620   -1.0814    7.4467 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7721   -3.4606    7.5616 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4127   -3.1922    8.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9721   -4.5495    9.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5736   -5.5212    8.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5619   -4.6613    7.1969 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8130   -4.5434    6.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8030   -5.2042    6.8351 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7651   -3.6689    5.2872 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.3465   -2.0945    5.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2274   -1.0842    6.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5735   -1.2894    6.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4486   -0.1976    6.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9967    1.1221    6.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6448    1.3583    6.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7832    0.2860    6.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3810   -4.3370    3.9648 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2332   -5.6779    3.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2237   -6.3919    3.5292 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7231   -6.2886    3.1807 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4659   -5.9754    4.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0696   -6.4962    3.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6836   -6.3016    5.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3768   -6.3365    1.6688 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918   -7.3847    0.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5982   -5.3350    1.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3595   -4.4060    1.9104 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9152   -5.2115   -0.3146 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5871   -5.8273   -1.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8102   -5.5803   -2.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9688   -5.1585   -1.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4068   -5.2009   -0.2926 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5346   -4.1756    0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3471   -4.2071   -0.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288   -3.0574    0.9989 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0761   -2.1781    0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4199   -6.3761    5.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -5.6631    3.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747   -4.6774    6.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3833   -3.6142    4.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9712   -2.5870    4.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1797   -3.3637    2.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6174   -4.3441    2.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6149   -1.3139    2.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4601   -2.0329    1.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3966   -1.1239    1.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0960   -3.3880    4.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8066   -1.9019    3.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7899   -2.6888    0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5091   -3.8502    1.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3893   -2.4882    1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8517   -0.3445    1.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5656   -0.4213    1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6053    0.5169    4.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9627    1.5584    2.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2421    0.5584    3.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8511   -0.8274    5.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7702   -3.8614    7.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6969   -2.7884    9.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2468   -2.4862    8.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6066   -4.8528   10.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0689   -4.5108    9.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5547   -5.8919    8.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2348   -6.3904    8.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7419   -3.3801    5.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4138   -1.5368    5.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6775   -1.9079    4.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0155   -2.2724    6.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5071   -0.3794    6.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6892    1.9506    6.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2739    2.3804    6.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7438    0.5447    6.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8677   -7.3569    3.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3260   -4.9175    4.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9072   -7.5351    3.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8361   -6.3970    2.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3099   -5.8953    4.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2255   -7.2465    5.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2285   -5.5129    6.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7438   -6.3737    5.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6208   -8.0271    1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6254   -6.9396    0.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2124   -7.9874    0.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1180   -4.1767   -0.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6993   -6.9059   -1.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7204   -4.5087   -3.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8037   -6.0059   -2.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3388   -6.0382   -3.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8647   -4.1550   -2.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5980   -5.7470   -2.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5052   -5.0249   -0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9275   -5.9040   -0.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5878   -3.6830    1.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7513   -2.0928   -0.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0798   -2.5561    0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1991   -1.1648    0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  2  3  1  0  0  0  0
  2 55  1  0  0  0  0
  3  4  1  0  0  0  0
  3 56  1  0  0  0  0
  3 57  1  0  0  0  0
  4  5  1  0  0  0  0
  4 58  1  0  0  0  0
  4 59  1  0  0  0  0
  5  6  1  0  0  0  0
  5 60  1  0  0  0  0
  5 61  1  0  0  0  0
  6  7  1  0  0  0  0
  6 51  1  0  0  0  0
  6 62  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 64  1  0  0  0  0
 12 65  1  0  0  0  0
 12 66  1  0  0  0  0
 12 67  1  0  0  0  0
 13 14  1  0  0  0  0
 13 68  1  0  0  0  0
 13 69  1  0  0  0  0
 14 70  1  0  0  0  0
 14 71  1  0  0  0  0
 14 72  1  0  0  0  0
 15 16  1  0  0  0  0
 15 73  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 18 74  1  0  0  0  0
 19 20  1  0  0  0  0
 19 75  1  0  0  0  0
 19 76  1  0  0  0  0
 20 21  1  0  0  0  0
 20 77  1  0  0  0  0
 20 78  1  0  0  0  0
 21 22  1  0  0  0  0
 21 79  1  0  0  0  0
 21 80  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 25 81  1  0  0  0  0
 26 27  1  0  0  0  0
 26 82  1  0  0  0  0
 26 83  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  2  0  0  0  0
 28 29  2  0  0  0  0
 28 84  1  0  0  0  0
 29 30  1  0  0  0  0
 29 85  1  0  0  0  0
 30 31  2  0  0  0  0
 30 86  1  0  0  0  0
 31 32  1  0  0  0  0
 31 87  1  0  0  0  0
 32 88  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 40  1  0  0  0  0
 36 89  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 90  1  0  0  0  0
 38 91  1  0  0  0  0
 38 92  1  0  0  0  0
 38 93  1  0  0  0  0
 39 94  1  0  0  0  0
 39 95  1  0  0  0  0
 39 96  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 97  1  0  0  0  0
 41 98  1  0  0  0  0
 41 99  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 48  1  0  0  0  0
 44100  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 45101  1  0  0  0  0
 46102  1  0  0  0  0
 46103  1  0  0  0  0
 46104  1  0  0  0  0
 47105  1  0  0  0  0
 47106  1  0  0  0  0
 47107  1  0  0  0  0
 48 49  1  0  0  0  0
 48108  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51109  1  0  0  0  0
 52110  1  0  0  0  0
 52111  1  0  0  0  0
 52112  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-30, 898👍, 0💬