Molecule FYI-1007503

A

Molecule Summary:

ID: FYI-1007503
Names:
InChIKey: JFNFDDLNSNRQIX-UHFFFAOYSA-N
SMILES: CC(C)CC3NC(=O)C(C)NC(=O)c4cc(CN(C(=O)C1CCOCC1)CCNC(=O)C(Cc2ccccc2)NC3=O)on4

Received at FYIcenter.com on: 2024-02-27

Molecule ID: FYI-1007503 Edit

Molecule Structure InChIKey: JFNFDDLNSNRQIX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CC3NC(=O)C(C)NC(=O)c4cc(CN(C(=O)C1CCOCC1)CCNC(=O)C(Cc2ccccc2)NC3=O)on4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007503
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    9.6387    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6387    1.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338    2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338    3.4780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290    1.3912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0242    2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0242    3.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290    4.1736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194    4.1736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194    5.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0242    6.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290    5.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0242    7.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290    8.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338    7.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6387    8.3473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8435    7.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3200    6.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1746    5.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4455    4.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3764    5.5284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6808    6.7332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8435    3.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6244    4.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8435    2.0868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6387    9.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8435   10.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338   10.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338   11.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290   12.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0242   11.8253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0242   10.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2290    9.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6145    6.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    5.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    6.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    3.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    4.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194    1.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6145    2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6145    3.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    1.3912    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  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  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  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 25  2  1  0  0  0  0
 26 16  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  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  0  0  0  0
 33 28  1  0  0  0  0
 34 10  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 40 35  1  0  0  0  0
 41  6  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007503-3D
FYIcenter.com

 86 89  0  0  1  0  0  0  0  0999 V2000
    3.5291    1.0169    1.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321    0.5647    0.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3294    1.6398    0.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9532    0.2612   -0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9104   -0.9490   -0.7411 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2181   -2.2364   -0.4853 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9286   -3.3450   -1.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9144   -3.9679   -0.8992 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8797   -3.9382   -2.3447 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0596   -4.4600   -1.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556   -5.0724   -3.1177 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5296   -5.2984   -4.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0705   -6.4448   -4.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1406   -4.3229   -5.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7971   -4.1609   -5.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7935   -3.0451   -6.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3579   -2.3445   -7.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844   -0.8723   -7.4886 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9426   -0.4983   -8.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3499    0.6725   -7.9648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8386   -1.5253   -8.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5639   -1.5297  -10.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848   -2.3921  -10.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9182   -1.9933  -10.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2181   -2.1190   -9.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3158   -1.2096   -8.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2016    0.2242   -6.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280    0.1700   -6.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696    1.1061   -5.1351 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4819    0.8398   -4.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1743    1.7876   -3.7718 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988   -0.5285   -3.4829 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7290   -1.7465   -3.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2941   -1.8083   -3.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5122   -0.6834   -3.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8294   -0.7923   -2.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3602   -2.0323   -2.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5779   -3.1714   -2.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2674   -3.0614   -2.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0132   -0.8380   -3.2724 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6968   -0.8994   -2.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9128   -1.0735   -2.1249 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1145   -2.7477   -6.9124 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546   -3.5081   -6.0499 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1165    1.1968    2.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9943    1.9422    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3053    0.2531    1.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9607   -0.3409    1.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7487    2.6207    0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7720    1.7285    1.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6015    1.3909    0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758    1.1681   -0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9928    0.0575   -0.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6881   -0.8814    0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5718   -2.1836    0.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2190   -3.2191   -3.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029   -5.0263   -0.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6504   -3.6272   -1.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185   -5.1134   -2.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -5.8982   -2.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -4.7261   -5.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -2.7745   -6.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3445   -2.7007   -8.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627   -2.5257   -8.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5499   -1.8900  -10.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6197   -0.5019  -10.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4570   -3.4506  -10.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4492   -2.2915  -12.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1096   -3.1661   -8.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2662   -1.8386   -9.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5325   -1.3148   -7.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5434   -0.1660   -8.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860    0.2933   -5.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3165    1.1811   -7.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9374    0.2958   -7.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3675   -0.7990   -5.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6014    2.0860   -5.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168   -0.2460   -2.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2013   -2.5899   -3.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8055   -2.0026   -4.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1402    0.3065   -3.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4405    0.0990   -2.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3755   -2.1043   -1.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9727   -4.1442   -2.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3251   -3.9725   -2.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6251   -0.8429   -4.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 48  1  0  0  0  0
  3 49  1  0  0  0  0
  3 50  1  0  0  0  0
  3 51  1  0  0  0  0
  4  5  1  0  0  0  0
  4 52  1  0  0  0  0
  4 53  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 54  1  0  0  0  0
  6  7  1  0  0  0  0
  6 55  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 56  1  0  0  0  0
 10 57  1  0  0  0  0
 10 58  1  0  0  0  0
 10 59  1  0  0  0  0
 11 12  1  0  0  0  0
 11 60  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  2  0  0  0  0
 15 16  2  0  0  0  0
 15 61  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 62  1  0  0  0  0
 17 63  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 64  1  0  0  0  0
 22 23  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 24  1  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 26 71  1  0  0  0  0
 26 72  1  0  0  0  0
 27 28  1  0  0  0  0
 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 28 29  1  0  0  0  0
 28 75  1  0  0  0  0
 28 76  1  0  0  0  0
 29 30  1  0  0  0  0
 29 77  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 40  1  0  0  0  0
 32 78  1  0  0  0  0
 33 34  1  0  0  0  0
 33 79  1  0  0  0  0
 33 80  1  0  0  0  0
 34 35  1  0  0  0  0
 34 39  2  0  0  0  0
 35 36  2  0  0  0  0
 35 81  1  0  0  0  0
 36 37  1  0  0  0  0
 36 82  1  0  0  0  0
 37 38  2  0  0  0  0
 37 83  1  0  0  0  0
 38 39  1  0  0  0  0
 38 84  1  0  0  0  0
 39 85  1  0  0  0  0
 40 41  1  0  0  0  0
 40 86  1  0  0  0  0
 41 42  2  0  0  0  0
 43 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 155👍, 0💬