data_A1EAW
# 
_chem_comp.id                                    A1EAW 
_chem_comp.name                                  "~{N}2,~{N}9-bis[2-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethoxy]ethyl]-1,10-phenanthroline-2,9-dicarboxamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C34 H46 N4 O16" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-08-19 
_chem_comp.pdbx_modified_date                    2025-10-06 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        766.746 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1EAW 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        9J1D 
_chem_comp.pdbx_subcomponent_list                "A1EAV I2J MAN I2J MAN" 
_chem_comp.pdbx_processing_site                  PDBC 
_chem_comp.pdbx_pcm                              ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
A1EAW C1   C1  C 0 1 Y N N N N N -25.894 23.704 0.947  1.636  5.018  0.853  C1  A1EAV 1   
A1EAW C5   C2  C 0 1 Y N N N N N -26.475 24.025 -1.360 1.027  3.378  -0.781 C5  A1EAV 2   
A1EAW C6   C3  C 0 1 Y N N N N N -27.154 24.875 2.633  -0.168 6.029  2.168  C6  A1EAV 3   
A1EAW C3   C4  C 0 1 Y N N N N N -27.693 25.159 0.301  -0.662 4.330  0.473  C3  A1EAV 4   
A1EAW C2   C5  C 0 1 Y N N N N N -26.914 24.579 1.296  0.272  5.132  1.170  C2  A1EAV 5   
A1EAW N    N1  N 0 1 Y N N N N N -27.462 24.874 -0.999 -0.254 3.495  -0.472 N   A1EAV 6   
A1EAW C    C6  C 0 1 Y N N N N N -25.674 23.425 -0.395 2.004  4.137  -0.126 C   A1EAV 7   
A1EAW O    O2  O 0 1 N N N N N N -25.106 23.772 -3.257 0.609  1.699  -2.355 O   A1EAV 8   
A1EAW C10  C7  C 0 1 Y N N N N N -29.980 27.210 2.317  -3.819 5.505  2.155  C10 A1EAV 9   
A1EAW C11  C8  C 0 1 Y N N N N N -30.752 27.783 1.312  -4.728 4.733  1.485  C11 A1EAV 10  
A1EAW C12  C9  C 0 1 Y N N N N N -30.500 27.478 -0.021 -4.290 3.842  0.498  C12 A1EAV 11  
A1EAW C13  C10 C 0 1 N N N N N N -31.360 28.119 -1.095 -5.282 3.011  -0.223 C13 A1EAV 12  
A1EAW C15  C11 C 0 1 N N N N N N -26.241 23.727 -2.812 1.434  2.431  -1.845 C15 A1EAV 13  
A1EAW C7   C26 C 0 1 Y N N N N N -28.176 25.752 2.978  -1.476 6.146  2.480  C7  A1EAV 14  
A1EAW C8   C27 C 0 1 Y N N N N N -28.956 26.331 1.983  -2.461 5.375  1.822  C8  A1EAV 15  
A1EAW C9   C28 C 0 1 Y N N N N N -28.714 26.036 0.648  -2.087 4.457  0.813  C9  A1EAV 16  
A1EAW N1   N2  N 0 1 Y N N N N N -29.489 26.613 -0.318 -3.007 3.731  0.194  N1  A1EAV 17  
A1EAW O7   O9  O 0 1 N N N N N N -32.305 27.498 -1.554 -6.469 3.170  -0.022 O7  A1EAV 18  
A1EAW C33  C21 C 0 1 N N N N N N -29.158 21.638 -5.704 7.333  0.711  -0.916 C4  I2J   19  
A1EAW C20  C17 C 0 1 N N N N N N -30.269 22.570 -5.236 6.733  1.239  -2.221 C3  I2J   20  
A1EAW C18  C14 C 0 1 N N N N N N -28.673 24.302 -5.415 4.661  1.450  -3.407 C2  I2J   21  
A1EAW C17  C13 C 0 1 N N N N N N -27.315 23.759 -4.988 3.145  1.370  -3.218 C1  I2J   22  
A1EAW N2   N3  N 0 1 N N N N N N -27.284 23.419 -3.579 2.720  2.381  -2.246 N   I2J   23  
A1EAW O1   O1  O 0 1 N N N N N N -29.696 23.717 -4.612 5.312  1.089  -2.187 O2  I2J   24  
A1EAW O1M2 O11 O 0 0 N N N N N N -29.380 20.331 -5.178 7.103  -0.697 -0.822 O4  I2J   25  
A1EAW C1M2 C29 C 0 0 N N S N N N -28.241 19.845 -4.470 7.626  -1.293 0.367  C1  MAN   26  
A1EAW C2M2 C30 C 0 0 N N S N N N -27.511 18.820 -5.326 7.547  -2.817 0.251  C2  MAN   27  
A1EAW C3M2 C31 C 0 0 N N S N N N -28.420 17.634 -5.618 6.079  -3.237 0.128  C3  MAN   28  
A1EAW C4M2 C32 C 0 0 N N S N N N -29.081 17.120 -4.345 5.305  -2.705 1.338  C4  MAN   29  
A1EAW C5M2 C33 C 0 0 N N R N N N -29.666 18.250 -3.505 5.470  -1.184 1.412  C5  MAN   30  
A1EAW C6M2 C34 C 0 0 N N N N N N -30.200 17.722 -2.179 4.749  -0.652 2.652  C6  MAN   31  
A1EAW O2M2 O12 O 0 0 N N N N N N -26.338 18.369 -4.641 8.119  -3.415 1.416  O2  MAN   32  
A1EAW O3M2 O13 O 0 0 N N N N N N -27.653 16.582 -6.215 5.991  -4.662 0.093  O3  MAN   33  
A1EAW O4M2 O14 O 0 0 N N N N N N -30.137 16.229 -4.706 3.920  -3.028 1.198  O4  MAN   34  
A1EAW O5M2 O15 O 0 0 N N N N N N -28.663 19.229 -3.257 6.860  -0.861 1.493  O5  MAN   35  
A1EAW O6M2 O16 O 0 0 N N N N N N -31.078 16.618 -2.426 4.804  0.775  2.659  O6  MAN   36  
A1EAW C21  C18 C 0 1 N N N N N N -31.335 26.078 -4.301 -2.919 -2.492 -2.181 C4  I2J   37  
A1EAW C22  C19 C 0 1 N N N N N N -30.029 26.849 -4.454 -3.564 -1.390 -3.024 C3  I2J   38  
A1EAW C19  C15 C 0 1 N N N N N N -30.073 29.105 -3.755 -5.115 0.432  -2.895 C2  I2J   39  
A1EAW C16  C12 C 0 1 N N N N N N -31.172 29.728 -2.902 -5.846 1.332  -1.896 C1  I2J   40  
A1EAW N3   N4  N 0 1 N N N N N N -31.059 29.347 -1.508 -4.867 2.077  -1.103 N   I2J   41  
A1EAW O8   O10 O 0 1 N N N N N N -29.877 27.749 -3.358 -4.376 -0.564 -2.187 O2  I2J   42  
A1EAW O1M  O3  O 0 1 N N N N N N -32.413 26.865 -4.805 -3.935 -3.356 -1.669 O4  I2J   43  
A1EAW C1M  C16 C 0 1 N N S N N N -32.867 26.392 -6.071 -3.436 -4.426 -0.863 C1  MAN   44  
A1EAW C2M  C20 C 0 1 N N S N N N -31.810 26.681 -7.130 -4.566 -5.419 -0.577 C2  MAN   45  
A1EAW C3M  C22 C 0 1 N N S N N N -31.612 28.181 -7.311 -5.667 -4.713 0.219  C3  MAN   46  
A1EAW C4M  C23 C 0 1 N N S N N N -32.950 28.886 -7.495 -5.064 -4.134 1.502  C4  MAN   47  
A1EAW C5M  C24 C 0 1 N N R N N N -33.935 28.473 -6.408 -3.915 -3.191 1.136  C5  MAN   48  
A1EAW C6M  C25 C 0 1 N N N N N N -35.294 29.127 -6.625 -3.268 -2.654 2.414  C6  MAN   49  
A1EAW O2M  O4  O 0 1 N N N N N N -32.209 26.099 -8.376 -4.056 -6.517 0.182  O2  MAN   50  
A1EAW O3M  O5  O 0 1 N N N N N N -30.782 28.421 -8.453 -6.693 -5.651 0.551  O3  MAN   51  
A1EAW O4M  O6  O 0 1 N N N N N N -32.754 30.304 -7.450 -6.067 -3.410 2.217  O4  MAN   52  
A1EAW O5M  O7  O 0 1 N N N N N N -34.082 27.054 -6.417 -2.940 -3.903 0.370  O5  MAN   53  
A1EAW O6M  O8  O 0 1 N N N N N N -35.729 28.888 -7.968 -2.274 -1.686 2.075  O6  MAN   54  
A1EAW H1   H1  H 0 1 N N N N N N -25.280 23.247 1.709  2.375  5.615  1.366  H1  A1EAV 55  
A1EAW H2   H2  H 0 1 N N N N N N -26.547 24.424 3.404  0.557  6.635  2.692  H2  A1EAV 56  
A1EAW H3   H3  H 0 1 N N N N N N -24.886 22.747 -0.687 3.045  4.027  -0.394 H3  A1EAV 57  
A1EAW H4   H4  H 0 1 N N N N N N -30.175 27.447 3.352  -4.139 6.196  2.921  H4  A1EAV 58  
A1EAW H5   H5  H 0 1 N N N N N N -31.549 28.466 1.567  -5.780 4.809  1.718  H5  A1EAV 59  
A1EAW H29  H29 H 0 1 N N N N N N -28.364 25.983 4.016  -1.776 6.843  3.249  H29 A1EAV 60  
A1EAW H22  H22 H 0 1 N N N N N N -29.154 21.595 -6.803 8.405  0.906  -0.904 H1  I2J   61  
A1EAW H23  H23 H 0 1 N N N N N N -28.188 22.016 -5.349 6.863  1.213  -0.071 H2  I2J   62  
A1EAW H15  H15 H 0 1 N N N N N N -30.871 22.886 -6.101 6.985  2.293  -2.335 H3  I2J   63  
A1EAW H16  H16 H 0 1 N N N N N N -30.911 22.042 -4.515 7.138  0.675  -3.061 H4  I2J   64  
A1EAW H10  H10 H 0 1 N N N N N N -28.687 25.394 -5.287 4.965  0.764  -4.198 H5  I2J   65  
A1EAW H11  H11 H 0 1 N N N N N N -28.851 24.054 -6.472 4.940  2.467  -3.681 H6  I2J   66  
A1EAW H8   H8  H 0 1 N N N N N N -27.093 22.856 -5.576 2.650  1.552  -4.172 H7  I2J   67  
A1EAW H9   H9  H 0 1 N N N N N N -26.549 24.523 -5.186 2.876  0.379  -2.853 H8  I2J   68  
A1EAW H30  H30 H 0 1 N N N N N N -28.064 22.942 -3.174 3.363  3.014  -1.892 H11 I2J   69  
A1EAW H36  H36 H 0 1 N N N N N N -27.553 20.675 -4.251 8.666  -0.991 0.497  H1  MAN   70  
A1EAW H37  H37 H 0 1 N N N N N N -27.230 19.292 -6.279 8.096  -3.144 -0.632 H2  MAN   71  
A1EAW H38  H38 H 0 1 N N N N N N -29.208 17.960 -6.313 5.657  -2.821 -0.787 H3  MAN   72  
A1EAW H39  H39 H 0 1 N N N N N N -28.327 16.588 -3.746 5.695  -3.158 2.249  H4  MAN   73  
A1EAW H40  H40 H 0 1 N N N N N N -30.500 18.702 -4.062 5.043  -0.729 0.519  H5  MAN   74  
A1EAW H41  H41 H 0 1 N N N N N N -29.360 17.390 -1.551 3.708  -0.976 2.634  H61 MAN   75  
A1EAW H42  H42 H 0 1 N N N N N N -30.751 18.521 -1.661 5.234  -1.039 3.548  H62 MAN   76  
A1EAW H43  H43 H 0 1 N N N N N N -25.772 19.110 -4.460 9.048  -3.188 1.559  HO2 MAN   77  
A1EAW H44  H44 H 0 1 N N N N N N -28.219 15.841 -6.398 6.466  -5.068 -0.645 HO3 MAN   78  
A1EAW H45  H45 H 0 1 N N N N N N -30.558 15.901 -3.920 3.741  -3.977 1.140  HO4 MAN   79  
A1EAW H46  H46 H 0 1 N N N N N N -31.412 16.287 -1.600 4.366  1.182  3.419  HO6 MAN   80  
A1EAW H17  H17 H 0 1 N N N N N N -31.508 25.857 -3.237 -2.231 -3.068 -2.801 H1  I2J   81  
A1EAW H18  H18 H 0 1 N N N N N N -31.273 25.136 -4.866 -2.372 -2.043 -1.353 H2  I2J   82  
A1EAW H19  H19 H 0 1 N N N N N N -29.186 26.143 -4.468 -2.786 -0.784 -3.487 H3  I2J   83  
A1EAW H20  H20 H 0 1 N N N N N N -30.047 27.418 -5.396 -4.183 -1.841 -3.799 H4  I2J   84  
A1EAW H12  H12 H 0 1 N N N N N N -29.138 29.667 -3.616 -5.842 -0.050 -3.549 H5  I2J   85  
A1EAW H13  H13 H 0 1 N N N N N N -30.367 29.138 -4.814 -4.432 1.035  -3.494 H6  I2J   86  
A1EAW H6   H6  H 0 1 N N N N N N -31.102 30.823 -2.978 -6.485 2.031  -2.436 H7  I2J   87  
A1EAW H7   H7  H 0 1 N N N N N N -32.149 29.395 -3.283 -6.458 0.718  -1.235 H8  I2J   88  
A1EAW H31  H31 H 0 1 N N N N N N -30.747 30.024 -0.841 -3.919 1.900  -1.210 H11 I2J   89  
A1EAW H14  H14 H 0 1 N N N N N N -33.032 25.305 -6.028 -2.631 -4.935 -1.393 H1  MAN   90  
A1EAW H21  H21 H 0 1 N N N N N N -30.857 26.240 -6.802 -4.975 -5.787 -1.519 H2  MAN   91  
A1EAW H24  H24 H 0 1 N N N N N N -31.127 28.581 -6.408 -6.091 -3.907 -0.381 H3  MAN   92  
A1EAW H25  H25 H 0 1 N N N N N N -33.366 28.598 -8.472 -4.686 -4.945 2.125  H4  MAN   93  
A1EAW H26  H26 H 0 1 N N N N N N -33.540 28.801 -5.435 -4.302 -2.358 0.548  H5  MAN   94  
A1EAW H27  H27 H 0 1 N N N N N N -35.211 30.210 -6.454 -4.030 -2.189 3.040  H61 MAN   95  
A1EAW H28  H28 H 0 1 N N N N N N -36.023 28.699 -5.922 -2.803 -3.476 2.959  H62 MAN   96  
A1EAW H32  H32 H 0 1 N N N N N N -32.333 25.164 -8.264 -3.350 -7.008 -0.261 HO2 MAN   97  
A1EAW H33  H33 H 0 1 N N N N N N -29.948 27.981 -8.337 -7.115 -6.061 -0.216 HO3 MAN   98  
A1EAW H34  H34 H 0 1 N N N N N N -33.588 30.743 -7.565 -6.828 -3.946 2.477  HO4 MAN   99  
A1EAW H35  H35 H 0 1 N N N N N N -36.576 29.295 -8.104 -1.821 -1.302 2.839  HO6 MAN   100 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1EAW O3M  C3M  SING N N 1   
A1EAW O2M  C2M  SING N N 2   
A1EAW O6M  C6M  SING N N 3   
A1EAW C4M  O4M  SING N N 4   
A1EAW C4M  C3M  SING N N 5   
A1EAW C4M  C5M  SING N N 6   
A1EAW C3M  C2M  SING N N 7   
A1EAW C2M  C1M  SING N N 8   
A1EAW C6M  C5M  SING N N 9   
A1EAW O5M  C5M  SING N N 10  
A1EAW O5M  C1M  SING N N 11  
A1EAW O3M2 C3M2 SING N N 12  
A1EAW C1M  O1M  SING N N 13  
A1EAW C33  C20  SING N N 14  
A1EAW C33  O1M2 SING N N 15  
A1EAW C3M2 C2M2 SING N N 16  
A1EAW C3M2 C4M2 SING N N 17  
A1EAW C18  C17  SING N N 18  
A1EAW C18  O1   SING N N 19  
A1EAW C2M2 O2M2 SING N N 20  
A1EAW C2M2 C1M2 SING N N 21  
A1EAW C20  O1   SING N N 22  
A1EAW O1M2 C1M2 SING N N 23  
A1EAW C17  N2   SING N N 24  
A1EAW O1M  C21  SING N N 25  
A1EAW O4M2 C4M2 SING N N 26  
A1EAW C1M2 O5M2 SING N N 27  
A1EAW C22  C21  SING N N 28  
A1EAW C22  O8   SING N N 29  
A1EAW C4M2 C5M2 SING N N 30  
A1EAW C19  O8   SING N N 31  
A1EAW C19  C16  SING N N 32  
A1EAW N2   C15  SING N N 33  
A1EAW C5M2 O5M2 SING N N 34  
A1EAW C5M2 C6M2 SING N N 35  
A1EAW O    C15  DOUB N N 36  
A1EAW C16  N3   SING N N 37  
A1EAW C15  C5   SING N N 38  
A1EAW O6M2 C6M2 SING N N 39  
A1EAW O7   C13  DOUB N N 40  
A1EAW N3   C13  SING N N 41  
A1EAW C5   N    DOUB Y N 42  
A1EAW C5   C    SING Y N 43  
A1EAW C13  C12  SING N N 44  
A1EAW N    C3   SING Y N 45  
A1EAW C    C1   DOUB Y N 46  
A1EAW N1   C12  DOUB Y N 47  
A1EAW N1   C9   SING Y N 48  
A1EAW C12  C11  SING Y N 49  
A1EAW C3   C9   DOUB Y N 50  
A1EAW C3   C2   SING Y N 51  
A1EAW C9   C8   SING Y N 52  
A1EAW C1   C2   SING Y N 53  
A1EAW C2   C6   DOUB Y N 54  
A1EAW C11  C10  DOUB Y N 55  
A1EAW C8   C10  SING Y N 56  
A1EAW C8   C7   DOUB Y N 57  
A1EAW C6   C7   SING Y N 58  
A1EAW C1   H1   SING N N 59  
A1EAW C6   H2   SING N N 60  
A1EAW C    H3   SING N N 61  
A1EAW C10  H4   SING N N 62  
A1EAW C11  H5   SING N N 63  
A1EAW C16  H6   SING N N 64  
A1EAW C16  H7   SING N N 65  
A1EAW C17  H8   SING N N 66  
A1EAW C17  H9   SING N N 67  
A1EAW C18  H10  SING N N 68  
A1EAW C18  H11  SING N N 69  
A1EAW C19  H12  SING N N 70  
A1EAW C19  H13  SING N N 71  
A1EAW C1M  H14  SING N N 72  
A1EAW C20  H15  SING N N 73  
A1EAW C20  H16  SING N N 74  
A1EAW C21  H17  SING N N 75  
A1EAW C21  H18  SING N N 76  
A1EAW C22  H19  SING N N 77  
A1EAW C22  H20  SING N N 78  
A1EAW C2M  H21  SING N N 79  
A1EAW C33  H22  SING N N 80  
A1EAW C33  H23  SING N N 81  
A1EAW C3M  H24  SING N N 82  
A1EAW C4M  H25  SING N N 83  
A1EAW C5M  H26  SING N N 84  
A1EAW C6M  H27  SING N N 85  
A1EAW C6M  H28  SING N N 86  
A1EAW C7   H29  SING N N 87  
A1EAW N2   H30  SING N N 88  
A1EAW N3   H31  SING N N 89  
A1EAW O2M  H32  SING N N 90  
A1EAW O3M  H33  SING N N 91  
A1EAW O4M  H34  SING N N 92  
A1EAW O6M  H35  SING N N 93  
A1EAW C1M2 H36  SING N N 94  
A1EAW C2M2 H37  SING N N 95  
A1EAW C3M2 H38  SING N N 96  
A1EAW C4M2 H39  SING N N 97  
A1EAW C5M2 H40  SING N N 98  
A1EAW C6M2 H41  SING N N 99  
A1EAW C6M2 H42  SING N N 100 
A1EAW O2M2 H43  SING N N 101 
A1EAW O3M2 H44  SING N N 102 
A1EAW O4M2 H45  SING N N 103 
A1EAW O6M2 H46  SING N N 104 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
A1EAW InChI            InChI                1.06  "InChI=1S/C34H46N4O16/c39-15-21-25(41)27(43)29(45)33(53-21)51-13-11-49-9-7-35-31(47)19-5-3-17-1-2-18-4-6-20(38-24(18)23(17)37-19)32(48)36-8-10-50-12-14-52-34-30(46)28(44)26(42)22(16-40)54-34/h1-6,21-22,25-30,33-34,39-46H,7-16H2,(H,35,47)(H,36,48)/t21-,22-,25-,26-,27+,28+,29+,30+,33+,34+/m1/s1" 
A1EAW InChIKey         InChI                1.06  OKAYCRSCTNGBEC-RYKYLIPQSA-N                                                                                                                                                                                                                                                                            
A1EAW SMILES_CANONICAL CACTVS               3.385 "OC[C@H]1O[C@H](OCCOCCNC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)NCCOCCO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@@H](O)[C@@H]1O"                                                                                                                                                                    
A1EAW SMILES           CACTVS               3.385 "OC[CH]1O[CH](OCCOCCNC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)NCCOCCO[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH](O)[CH](O)[CH]1O"                                                                                                                                                                                   
A1EAW SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "c1cc2ccc(nc2c3c1ccc(n3)C(=O)NCCOCCO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)NCCOCCO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O"                                                                                                                                                               
A1EAW SMILES           "OpenEye OEToolkits" 2.0.7 "c1cc2ccc(nc2c3c1ccc(n3)C(=O)NCCOCCOC4C(C(C(C(O4)CO)O)O)O)C(=O)NCCOCCOC5C(C(C(C(O5)CO)O)O)O"                                                                                                                                                                                                           
# 
_pdbx_chem_comp_identifier.comp_id           A1EAW 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "~{N}2,~{N}9-bis[2-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethoxy]ethyl]-1,10-phenanthroline-2,9-dicarboxamide" 
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loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1EAW "Create component" 2024-08-19 PDBC 
A1EAW "Initial release"  2024-12-04 RCSB 
A1EAW "Modify synonyms"  2025-10-06 PDBC 
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