data_A1H1T
# 
_chem_comp.id                                    A1H1T 
_chem_comp.name                                  "[5-[2-(dipyridin-2-ylamino)ethanoylamino]pentyl-[4-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentylamino]-4-oxidanylidene-butanoyl]amino]oxyiron" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C37 H56 Fe N9 O9" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-01-05 
_chem_comp.pdbx_modified_date                    2024-12-06 
_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                        826.740 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1H1T 
_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   Y 
_chem_comp.pdbx_model_coordinates_db_code        8RM3 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_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 
A1H1T C11 C1  C  0  1 N N N N N N 13.418 -28.734 0.466  ? ? ? C11 A1H1T 1   
A1H1T C15 C2  C  0  1 N N N N N N 14.295 -32.911 2.364  ? ? ? C15 A1H1T 2   
A1H1T C16 C3  C  0  1 N N N N N N 14.262 -33.084 3.883  ? ? ? C16 A1H1T 3   
A1H1T C17 C4  C  0  1 N N N N N N 14.175 -34.501 4.439  ? ? ? C17 A1H1T 4   
A1H1T C18 C5  C  0  1 N N N N N N 12.161 -33.904 5.831  ? ? ? C18 A1H1T 5   
A1H1T C20 C6  C  0  1 N N N N N N 9.701  -33.555 6.158  ? ? ? C20 A1H1T 6   
A1H1T C21 C7  C  0  1 N N N N N N 8.332  -34.222 6.161  ? ? ? C21 A1H1T 7   
A1H1T C22 C8  C  0  1 N N N N N N 7.420  -33.730 5.041  ? ? ? C22 A1H1T 8   
A1H1T C25 C9  C  0  1 N N N N N N 11.333 -35.083 -5.818 ? ? ? C25 A1H1T 9   
A1H1T C26 C10 C  0  1 N N N N N N 10.191 -34.948 -4.815 ? ? ? C26 A1H1T 10  
A1H1T C10 C11 C  0  1 N N N N N N 12.118 -28.208 -0.142 ? ? ? C10 A1H1T 11  
A1H1T C13 C12 C  0  1 N N N N N N 13.554 -30.057 2.648  ? ? ? C13 A1H1T 12  
A1H1T C24 C13 C  0  1 N N N N N N 12.932 -33.844 -4.304 ? ? ? C24 A1H1T 13  
A1H1T C28 C14 C  0  1 Y N N N N N 9.465  -37.070 -3.735 ? ? ? C28 A1H1T 14  
A1H1T C01 C15 C  0  1 N N N N N N 13.156 -34.830 -3.161 ? ? ? C01 A1H1T 15  
A1H1T C02 C16 C  0  1 N N N N N N 12.248 -34.531 -1.974 ? ? ? C02 A1H1T 16  
A1H1T C03 C17 C  0  1 N N N N N N 11.777 -33.078 -1.982 ? ? ? C03 A1H1T 17  
A1H1T C04 C18 C  0  1 N N N N N N 10.374 -32.889 -2.566 ? ? ? C04 A1H1T 18  
A1H1T N01 N1  N  0  1 N N N N N N 9.504  -32.659 -1.447 ? ? ? N01 A1H1T 19  
A1H1T C05 C19 C  0  1 N N N N N N 8.752  -31.426 -1.296 ? ? ? C05 A1H1T 20  
A1H1T C06 C20 C  0  1 N N N N N N 8.843  -30.334 -2.355 ? ? ? C06 A1H1T 21  
A1H1T C07 C21 C  0  1 N N N N N N 9.952  -29.327 -2.083 ? ? ? C07 A1H1T 22  
A1H1T C08 C22 C  0  1 N N N N N N 11.289 -29.611 -2.753 ? ? ? C08 A1H1T 23  
A1H1T N02 N2  N  0  1 N N N N N N 12.440 -28.776 -2.480 ? ? ? N02 A1H1T 24  
A1H1T C09 C23 C  0  1 N N N N N N 12.309 -27.668 -1.555 ? ? ? C09 A1H1T 25  
A1H1T C12 C24 C  0  1 N N N N N N 13.353 -28.685 2.002  ? ? ? C12 A1H1T 26  
A1H1T N03 N3  N  0  1 N N N N N N 12.613 -30.984 2.047  ? ? ? N03 A1H1T 27  
A1H1T C14 C25 C  0  1 N N N N N N 12.949 -32.384 1.880  ? ? ? C14 A1H1T 28  
A1H1T N04 N4  N  0  1 N N N N N N 13.141 -34.875 5.395  ? ? ? N04 A1H1T 29  
A1H1T C19 C26 C  0  1 N N N N N N 10.813 -34.587 6.025  ? ? ? C19 A1H1T 30  
A1H1T N05 N5  N  0  1 N N N N N N 8.142  -33.616 3.799  ? ? ? N05 A1H1T 31  
A1H1T C23 C27 C  0  1 N N N N N N 8.196  -34.693 2.832  ? ? ? C23 A1H1T 32  
A1H1T N06 N6  N  0  1 N N N N N N 12.647 -34.539 -5.542 ? ? ? N06 A1H1T 33  
A1H1T N07 N7  N  0  1 N N N N N N 9.351  -36.125 -4.818 ? ? ? N07 A1H1T 34  
A1H1T O01 O1  O  0  1 N N N N N N 11.146 -35.639 -6.840 ? ? ? O01 A1H1T 35  
A1H1T O02 O2  O  0  1 N N N N N N 8.059  -31.265 -0.362 ? ? ? O02 A1H1T 36  
A1H1T O03 O3  O  0  1 N N N N N N 14.962 -35.308 4.091  ? ? ? O03 A1H1T 37  
A1H1T C27 C28 C  0  1 N N N N N N 7.512  -36.036 3.029  ? ? ? C27 A1H1T 38  
A1H1T O04 O4  O  0  1 N N N N N N 8.802  -34.529 1.850  ? ? ? O04 A1H1T 39  
A1H1T O05 O5  O  0  1 N N N N N N 11.374 -30.512 -3.500 ? ? ? O05 A1H1T 40  
A1H1T O06 O6  O  0  1 N N N N N N 12.186 -33.125 1.393  ? ? ? O06 A1H1T 41  
A1H1T O07 O7  O  0  1 N N N N N N 9.439  -33.691 -0.520 ? ? ? O07 A1H1T 42  
A1H1T O08 O8  O  -1 1 N N N N N N 11.385 -30.496 1.619  ? ? ? O08 A1H1T 43  
A1H1T O09 O9  O  -1 1 N N N N N N 8.800  -32.425 3.528  ? ? ? O09 A1H1T 44  
A1H1T C29 C29 C  0  1 Y N N N N N 8.085  -36.094 -5.512 ? ? ? C29 A1H1T 45  
A1H1T N08 N8  N  0  1 Y N N N N N 10.175 -36.751 -2.679 ? ? ? N08 A1H1T 46  
A1H1T C30 C30 C  0  1 Y N N N N N 10.314 -37.574 -1.662 ? ? ? C30 A1H1T 47  
A1H1T C31 C31 C  0  1 Y N N N N N 9.692  -38.808 -1.694 ? ? ? C31 A1H1T 48  
A1H1T C32 C32 C  0  1 Y N N N N N 8.930  -39.172 -2.790 ? ? ? C32 A1H1T 49  
A1H1T C33 C33 C  0  1 Y N N N N N 8.811  -38.281 -3.838 ? ? ? C33 A1H1T 50  
A1H1T C34 C34 C  0  1 Y N N N N N 7.894  -36.872 -6.637 ? ? ? C34 A1H1T 51  
A1H1T C35 C35 C  0  1 Y N N N N N 6.679  -36.848 -7.301 ? ? ? C35 A1H1T 52  
A1H1T C36 C36 C  0  1 Y N N N N N 5.688  -36.028 -6.788 ? ? ? C36 A1H1T 53  
A1H1T C37 C37 C  0  1 Y N N N N N 5.938  -35.276 -5.656 ? ? ? C37 A1H1T 54  
A1H1T N09 N9  N  0  1 Y N N N N N 7.113  -35.332 -5.061 ? ? ? N09 A1H1T 55  
A1H1T FE  FE1 FE 3  0 N N N N N N 9.865  -32.330 1.319  ? ? ? FE  A1H1T 56  
A1H1T H1  H1  H  0  1 N N N N N N 13.574 -29.774 0.143  ? ? ? H1  A1H1T 57  
A1H1T H2  H2  H  0  1 N N N N N N 14.257 -28.113 0.119  ? ? ? H2  A1H1T 58  
A1H1T H3  H3  H  0  1 N N N N N N 15.086 -32.196 2.094  ? ? ? H3  A1H1T 59  
A1H1T H4  H4  H  0  1 N N N N N N 14.500 -33.882 1.889  ? ? ? H4  A1H1T 60  
A1H1T H5  H5  H  0  1 N N N N N N 15.181 -32.631 4.284  ? ? ? H5  A1H1T 61  
A1H1T H6  H6  H  0  1 N N N N N N 13.387 -32.532 4.256  ? ? ? H6  A1H1T 62  
A1H1T H7  H7  H  0  1 N N N N N N 12.486 -33.459 6.783  ? ? ? H7  A1H1T 63  
A1H1T H8  H8  H  0  1 N N N N N N 12.065 -33.115 5.071  ? ? ? H8  A1H1T 64  
A1H1T H9  H9  H  0  1 N N N N N N 9.758  -32.855 5.312  ? ? ? H9  A1H1T 65  
A1H1T H10 H10 H  0  1 N N N N N N 9.834  -33.003 7.100  ? ? ? H10 A1H1T 66  
A1H1T H11 H11 H  0  1 N N N N N N 8.472  -35.307 6.047  ? ? ? H11 A1H1T 67  
A1H1T H12 H12 H  0  1 N N N N N N 7.844  -34.015 7.125  ? ? ? H12 A1H1T 68  
A1H1T H13 H13 H  0  1 N N N N N N 6.592  -34.443 4.912  ? ? ? H13 A1H1T 69  
A1H1T H14 H14 H  0  1 N N N N N N 7.015  -32.744 5.314  ? ? ? H14 A1H1T 70  
A1H1T H15 H15 H  0  1 N N N N N N 10.612 -34.810 -3.808 ? ? ? H15 A1H1T 71  
A1H1T H16 H16 H  0  1 N N N N N N 9.582  -34.072 -5.081 ? ? ? H16 A1H1T 72  
A1H1T H17 H17 H  0  1 N N N N N N 11.387 -29.029 -0.174 ? ? ? H17 A1H1T 73  
A1H1T H18 H18 H  0  1 N N N N N N 11.733 -27.399 0.496  ? ? ? H18 A1H1T 74  
A1H1T H19 H19 H  0  1 N N N N N N 14.583 -30.404 2.472  ? ? ? H19 A1H1T 75  
A1H1T H20 H20 H  0  1 N N N N N N 13.370 -29.989 3.730  ? ? ? H20 A1H1T 76  
A1H1T H21 H21 H  0  1 N N N N N N 12.083 -33.191 -4.054 ? ? ? H21 A1H1T 77  
A1H1T H22 H22 H  0  1 N N N N N N 13.838 -33.233 -4.435 ? ? ? H22 A1H1T 78  
A1H1T H23 H23 H  0  1 N N N N N N 12.948 -35.848 -3.522 ? ? ? H23 A1H1T 79  
A1H1T H24 H24 H  0  1 N N N N N N 14.204 -34.765 -2.834 ? ? ? H24 A1H1T 80  
A1H1T H25 H25 H  0  1 N N N N N N 11.370 -35.192 -2.020 ? ? ? H25 A1H1T 81  
A1H1T H26 H26 H  0  1 N N N N N N 12.802 -34.722 -1.043 ? ? ? H26 A1H1T 82  
A1H1T H27 H27 H  0  1 N N N N N N 11.775 -32.708 -0.946 ? ? ? H27 A1H1T 83  
A1H1T H28 H28 H  0  1 N N N N N N 12.485 -32.487 -2.581 ? ? ? H28 A1H1T 84  
A1H1T H29 H29 H  0  1 N N N N N N 10.357 -32.025 -3.247 ? ? ? H29 A1H1T 85  
A1H1T H30 H30 H  0  1 N N N N N N 10.063 -33.792 -3.112 ? ? ? H30 A1H1T 86  
A1H1T H31 H31 H  0  1 N N N N N N 9.032  -30.807 -3.330 ? ? ? H31 A1H1T 87  
A1H1T H32 H32 H  0  1 N N N N N N 7.883  -29.797 -2.387 ? ? ? H32 A1H1T 88  
A1H1T H33 H33 H  0  1 N N N N N N 9.605  -28.342 -2.428 ? ? ? H33 A1H1T 89  
A1H1T H34 H34 H  0  1 N N N N N N 10.120 -29.296 -0.996 ? ? ? H34 A1H1T 90  
A1H1T H35 H35 H  0  1 N N N N N N 13.316 -28.962 -2.925 ? ? ? H35 A1H1T 91  
A1H1T H36 H36 H  0  1 N N N N N N 11.438 -27.057 -1.835 ? ? ? H36 A1H1T 92  
A1H1T H37 H37 H  0  1 N N N N N N 13.218 -27.050 -1.592 ? ? ? H37 A1H1T 93  
A1H1T H38 H38 H  0  1 N N N N N N 14.139 -28.007 2.366  ? ? ? H38 A1H1T 94  
A1H1T H39 H39 H  0  1 N N N N N N 12.368 -28.297 2.300  ? ? ? H39 A1H1T 95  
A1H1T H40 H40 H  0  1 N N N N N N 13.108 -35.809 5.752  ? ? ? H40 A1H1T 96  
A1H1T H41 H41 H  0  1 N N N N N N 10.606 -35.231 5.157  ? ? ? H41 A1H1T 97  
A1H1T H42 H42 H  0  1 N N N N N N 10.847 -35.201 6.937  ? ? ? H42 A1H1T 98  
A1H1T H43 H43 H  0  1 N N N N N N 13.373 -34.646 -6.221 ? ? ? H43 A1H1T 99  
A1H1T H44 H44 H  0  1 N N N N N N 7.710  -36.680 2.159  ? ? ? H44 A1H1T 100 
A1H1T H45 H45 H  0  1 N N N N N N 7.903  -36.517 3.938  ? ? ? H45 A1H1T 101 
A1H1T H46 H46 H  0  1 N N N N N N 6.428  -35.883 3.133  ? ? ? H46 A1H1T 102 
A1H1T H47 H47 H  0  1 N N N N N N 10.876 -31.204 1.243  ? ? ? H47 A1H1T 103 
A1H1T H48 H48 H  0  1 N N N N N N 9.230  -32.485 2.683  ? ? ? H48 A1H1T 104 
A1H1T H49 H49 H  0  1 N N N N N N 10.910 -37.287 -0.808 ? ? ? H49 A1H1T 105 
A1H1T H50 H50 H  0  1 N N N N N N 9.801  -39.489 -0.863 ? ? ? H50 A1H1T 106 
A1H1T H51 H51 H  0  1 N N N N N N 8.439  -40.133 -2.825 ? ? ? H51 A1H1T 107 
A1H1T H52 H52 H  0  1 N N N N N N 8.224  -38.524 -4.711 ? ? ? H52 A1H1T 108 
A1H1T H53 H53 H  0  1 N N N N N N 8.694  -37.500 -7.000 ? ? ? H53 A1H1T 109 
A1H1T H54 H54 H  0  1 N N N N N N 6.511  -37.446 -8.185 ? ? ? H54 A1H1T 110 
A1H1T H55 H55 H  0  1 N N N N N N 4.723  -35.976 -7.271 ? ? ? H55 A1H1T 111 
A1H1T H56 H56 H  0  1 N N N N N N 5.165  -34.637 -5.256 ? ? ? H56 A1H1T 112 
# 
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 
A1H1T C11 C10 SING N N 1   
A1H1T C11 C12 SING N N 2   
A1H1T C15 C16 SING N N 3   
A1H1T C15 C14 SING N N 4   
A1H1T C16 C17 SING N N 5   
A1H1T C17 N04 SING N N 6   
A1H1T C17 O03 DOUB N N 7   
A1H1T C18 N04 SING N N 8   
A1H1T C18 C19 SING N N 9   
A1H1T C20 C21 SING N N 10  
A1H1T C20 C19 SING N N 11  
A1H1T C21 C22 SING N N 12  
A1H1T C22 N05 SING N N 13  
A1H1T C25 C26 SING N N 14  
A1H1T C25 N06 SING N N 15  
A1H1T C25 O01 DOUB N N 16  
A1H1T C26 N07 SING N N 17  
A1H1T C10 C09 SING N N 18  
A1H1T C13 C12 SING N N 19  
A1H1T C13 N03 SING N N 20  
A1H1T C24 C01 SING N N 21  
A1H1T C24 N06 SING N N 22  
A1H1T C28 N07 SING N N 23  
A1H1T C28 N08 DOUB Y N 24  
A1H1T C28 C33 SING Y N 25  
A1H1T C01 C02 SING N N 26  
A1H1T C02 C03 SING N N 27  
A1H1T C03 C04 SING N N 28  
A1H1T C04 N01 SING N N 29  
A1H1T N01 C05 SING N N 30  
A1H1T N01 O07 SING N N 31  
A1H1T C05 C06 SING N N 32  
A1H1T C05 O02 DOUB N N 33  
A1H1T C06 C07 SING N N 34  
A1H1T C07 C08 SING N N 35  
A1H1T C08 N02 SING N N 36  
A1H1T C08 O05 DOUB N N 37  
A1H1T N02 C09 SING N N 38  
A1H1T N03 C14 SING N N 39  
A1H1T N03 O08 SING N N 40  
A1H1T C14 O06 DOUB N N 41  
A1H1T N05 C23 SING N N 42  
A1H1T N05 O09 SING N N 43  
A1H1T C23 C27 SING N N 44  
A1H1T C23 O04 DOUB N N 45  
A1H1T N07 C29 SING N N 46  
A1H1T O07 FE  SING N N 47  
A1H1T C29 C34 DOUB Y N 48  
A1H1T C29 N09 SING Y N 49  
A1H1T N08 C30 SING Y N 50  
A1H1T C30 C31 DOUB Y N 51  
A1H1T C31 C32 SING Y N 52  
A1H1T C32 C33 DOUB Y N 53  
A1H1T C34 C35 SING Y N 54  
A1H1T C35 C36 DOUB Y N 55  
A1H1T C36 C37 SING Y N 56  
A1H1T C37 N09 DOUB Y N 57  
A1H1T C11 H1  SING N N 58  
A1H1T C11 H2  SING N N 59  
A1H1T C15 H3  SING N N 60  
A1H1T C15 H4  SING N N 61  
A1H1T C16 H5  SING N N 62  
A1H1T C16 H6  SING N N 63  
A1H1T C18 H7  SING N N 64  
A1H1T C18 H8  SING N N 65  
A1H1T C20 H9  SING N N 66  
A1H1T C20 H10 SING N N 67  
A1H1T C21 H11 SING N N 68  
A1H1T C21 H12 SING N N 69  
A1H1T C22 H13 SING N N 70  
A1H1T C22 H14 SING N N 71  
A1H1T C26 H15 SING N N 72  
A1H1T C26 H16 SING N N 73  
A1H1T C10 H17 SING N N 74  
A1H1T C10 H18 SING N N 75  
A1H1T C13 H19 SING N N 76  
A1H1T C13 H20 SING N N 77  
A1H1T C24 H21 SING N N 78  
A1H1T C24 H22 SING N N 79  
A1H1T C01 H23 SING N N 80  
A1H1T C01 H24 SING N N 81  
A1H1T C02 H25 SING N N 82  
A1H1T C02 H26 SING N N 83  
A1H1T C03 H27 SING N N 84  
A1H1T C03 H28 SING N N 85  
A1H1T C04 H29 SING N N 86  
A1H1T C04 H30 SING N N 87  
A1H1T C06 H31 SING N N 88  
A1H1T C06 H32 SING N N 89  
A1H1T C07 H33 SING N N 90  
A1H1T C07 H34 SING N N 91  
A1H1T N02 H35 SING N N 92  
A1H1T C09 H36 SING N N 93  
A1H1T C09 H37 SING N N 94  
A1H1T C12 H38 SING N N 95  
A1H1T C12 H39 SING N N 96  
A1H1T N04 H40 SING N N 97  
A1H1T C19 H41 SING N N 98  
A1H1T C19 H42 SING N N 99  
A1H1T N06 H43 SING N N 100 
A1H1T C27 H44 SING N N 101 
A1H1T C27 H45 SING N N 102 
A1H1T C27 H46 SING N N 103 
A1H1T O08 H47 SING N N 104 
A1H1T O09 H48 SING N N 105 
A1H1T C30 H49 SING N N 106 
A1H1T C31 H50 SING N N 107 
A1H1T C32 H51 SING N N 108 
A1H1T C33 H52 SING N N 109 
A1H1T C34 H53 SING N N 110 
A1H1T C35 H54 SING N N 111 
A1H1T C36 H55 SING N N 112 
A1H1T C37 H56 SING N N 113 
# 
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 
A1H1T InChI            InChI                1.06  "InChI=1S/C37H56N9O9.Fe/c1-30(47)44(53)26-12-2-7-23-40-33(48)17-19-36(51)45(54)27-13-3-8-24-41-34(49)18-20-37(52)46(55)28-14-4-9-25-42-35(50)29-43(31-15-5-10-21-38-31)32-16-6-11-22-39-32;/h5-6,10-11,15-16,21-22,53-54H,2-4,7-9,12-14,17-20,23-29H2,1H3,(H,40,48)(H,41,49)(H,42,50);/q-3;+3" 
A1H1T InChIKey         InChI                1.06  ZJFPAJNOWQURRC-UHFFFAOYSA-N                                                                                                                                                                                                                                                                    
A1H1T SMILES_CANONICAL CACTVS               3.385 "[Fe+3].CC(=O)N([OH-])CCCCCNC(=O)CCC(=O)N([OH-])CCCCCNC(=O)CCC(=O)N([O-])CCCCCNC(=O)CN(c1ccccn1)c2ccccn2"                                                                                                                                                                                      
A1H1T SMILES           CACTVS               3.385 "[Fe+3].CC(=O)N([OH-])CCCCCNC(=O)CCC(=O)N([OH-])CCCCCNC(=O)CCC(=O)N([O-])CCCCCNC(=O)CN(c1ccccn1)c2ccccn2"                                                                                                                                                                                      
A1H1T SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CN(c1ccccn1)c2ccccn2)[O-][Fe+3])[OH-])[OH-]"                                                                                                                                                                                       
A1H1T SMILES           "OpenEye OEToolkits" 2.0.7 "CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CN(c1ccccn1)c2ccccn2)[O-][Fe+3])[OH-])[OH-]"                                                                                                                                                                                       
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_pdbx_chem_comp_identifier.comp_id           A1H1T 
_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        "[5-[2-(dipyridin-2-ylamino)ethanoylamino]pentyl-[4-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentylamino]-4-oxidanylidene-butanoyl]amino]oxyiron" 
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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 
A1H1T "Create component" 2024-01-05 PDBE 
A1H1T "Modify formula"   2024-02-08 PDBE 
A1H1T "Initial release"  2024-12-11 RCSB 
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