Molecule FYI-1010084

A

Molecule Summary:

ID: FYI-1010084
Names:
InChIKey: BHYCLFCOZPICKT-CNDSVILGSA-N
SMILES: C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C

Received at FYIcenter.com on: 2024-05-28

Molecule ID: FYI-1010084 Edit

Molecule Structure InChIKey: BHYCLFCOZPICKT-CNDSVILGSA-N

Molecule Structure SMILES String: C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010084
FYIcenter.com

 52 52  0  0  1  0  0  0  0  0999 V2000
   19.5399   15.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3188   14.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3188   13.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0975   12.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0975   11.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8762   10.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8762    9.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6549    8.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6549    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4338    6.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4338    4.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125    4.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2125    2.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9912    2.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7579    2.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3876    2.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8529    0.8537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2928    2.6140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2052    4.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0835    1.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1063    0.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3275    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3841    0.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7700    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7400    2.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0230    2.9863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7700    4.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9912    4.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5488    4.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5488    6.3457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3275    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3275    8.4611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1063    6.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850    7.0509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6637    6.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    7.0509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6637    4.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6628    4.2711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8572    2.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143    1.9397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    4.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213    4.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213    6.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1063    4.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5722    4.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5756    2.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1435    2.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9919    3.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1783    4.4261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4790    2.4155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  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 18  1  1  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  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  2  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 39 20  1  0  0  0  0
 40 39  2  0  0  0  0
 37 41  1  1  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 42  1  0  0  0  0
 33 45  1  6  0  0  0
 29 46  1  6  0  0  0
 25 47  1  6  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 51 49  1  0  0  0  0
 21 52  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010084-3D
FYIcenter.com

106106  0  0  1  0  0  0  0  0999 V2000
    0.9584    7.6890    1.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4531    7.6657    1.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050    7.1150    2.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6548    7.0891    2.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4112    6.5377    3.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8681    6.4969    3.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6235    5.9420    4.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0829    5.9086    4.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8399    5.3569    5.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3015    5.3310    5.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0612    4.7679    6.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    4.7534    6.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2854    4.1102    7.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7480    4.1202    7.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4981    3.2658    7.7577 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0013    3.3229    7.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6286    3.5264    6.7444 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6277    3.1269    9.0218 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9016    3.1186   10.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1346    3.1789    9.0941 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.7323    2.3491   10.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4672    2.6030   11.4634 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5704    1.3026    9.9818 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2234    0.4995   11.0403 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.2433   -0.5691   11.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7756   -1.4804   12.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1912   -0.7131   13.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7024   -2.5090   13.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5119   -0.1028   10.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4782   -1.0181    9.6064 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6391    0.6946   10.6002 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.3482    1.1581    9.3998 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.3187    1.7801    8.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3687    2.2759    9.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5737    2.6205   10.9297 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9294    2.9527    8.6880 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6956    4.4051    8.5904 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9169    5.1616    8.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5939    4.5976    7.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5813    3.8798    6.5203 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6786    5.5933    7.7448 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4869    5.8807    6.9191 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.1603    4.9342    5.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8924    5.3482    4.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5822    4.3741    3.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4121    3.6945    4.0033 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3168    4.2088    2.9065 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2824    5.9736    7.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8287    7.0351    8.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8363    4.7312    8.2283 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6839    4.6593    9.1144 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.1070    5.1787   10.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676    8.1814    0.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5938    8.2513    2.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5463    6.6759    1.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9095    8.1306    0.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6992    6.6639    3.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1213    7.5443    1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9203    6.0848    4.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542    6.9535    2.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.4825    5.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5705    6.3631    3.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3631    4.8962    6.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7902    5.8027    4.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5806    4.2902    6.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0090    5.2988    5.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8027    3.5503    7.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2434    4.8898    6.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0383    2.4622    8.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8190    3.1233   10.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1775    4.0126   10.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1586    2.2144   10.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4926    2.7102    8.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5453    0.9069    9.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4947    1.1852   11.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9430   -1.1958   10.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3246   -0.0780   11.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6496   -2.0246   12.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3232   -0.2739   14.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8988    0.0904   13.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6826   -1.3888   14.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8399   -2.0268   13.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1021   -3.2493   13.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3427   -3.0428   12.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6692    1.3399   11.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8608    0.3091    8.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9062    2.6961    8.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4887    1.1140    8.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7567    2.0083    7.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8434    2.4962    7.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3546    4.7884    9.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1774    4.8679    7.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7881    4.9836    8.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7107    6.2382    8.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8464    6.2284    8.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6521    6.8866    6.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0420    3.9042    6.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9964    4.9267    5.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0144    6.3438    4.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0291    5.4023    5.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8408    3.6972    4.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2000    3.0060    3.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9111    5.3221    8.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0232    4.6802   10.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3178    5.0605   11.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3506    6.2446   10.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  1 55  1  0  0  0  0
  2  3  2  0  0  0  0
  2 56  1  0  0  0  0
  3  4  1  0  0  0  0
  3 57  1  0  0  0  0
  4  5  2  0  0  0  0
  4 58  1  0  0  0  0
  5  6  1  0  0  0  0
  5 59  1  0  0  0  0
  6  7  2  0  0  0  0
  6 60  1  0  0  0  0
  7  8  1  0  0  0  0
  7 61  1  0  0  0  0
  8  9  2  0  0  0  0
  8 62  1  0  0  0  0
  9 10  1  0  0  0  0
  9 63  1  0  0  0  0
 10 11  2  0  0  0  0
 10 64  1  0  0  0  0
 11 12  1  0  0  0  0
 11 65  1  0  0  0  0
 12 13  2  0  0  0  0
 12 66  1  0  0  0  0
 13 14  1  0  0  0  0
 13 67  1  0  0  0  0
 14 15  2  0  0  0  0
 14 68  1  0  0  0  0
 15 16  1  0  0  0  0
 15 69  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 20  1  0  0  0  0
 19 70  1  0  0  0  0
 19 71  1  0  0  0  0
 19 72  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 20 73  1  6  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 74  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 24 75  1  1  0  0  0
 25 26  1  0  0  0  0
 25 76  1  0  0  0  0
 25 77  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 78  1  0  0  0  0
 27 79  1  0  0  0  0
 27 80  1  0  0  0  0
 27 81  1  0  0  0  0
 28 82  1  0  0  0  0
 28 83  1  0  0  0  0
 28 84  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 85  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 86  1  6  0  0  0
 33 87  1  0  0  0  0
 33 88  1  0  0  0  0
 33 89  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 90  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 91  1  1  0  0  0
 38 92  1  0  0  0  0
 38 93  1  0  0  0  0
 38 94  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 95  1  0  0  0  0
 42 43  1  0  0  0  0
 42 48  1  0  0  0  0
 42 96  1  6  0  0  0
 43 44  1  0  0  0  0
 43 97  1  0  0  0  0
 43 98  1  0  0  0  0
 44 45  1  0  0  0  0
 44 99  1  0  0  0  0
 44100  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 46101  1  0  0  0  0
 46102  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51103  1  6  0  0  0
 52104  1  0  0  0  0
 52105  1  0  0  0  0
 52106  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 146👍, 0💬