data_JY1 # _chem_comp.id JY1 _chem_comp.name "bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C36 H74 N6 O6 P4 Rh" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2018-10-16 _chem_comp.pdbx_modified_date 2020-01-18 _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 913.810 _chem_comp.one_letter_code ? _chem_comp.three_letter_code JY1 _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 6DO0 _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # # 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.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 JY1 C11 C1 C 0 1 N N N 9.391 -25.203 20.831 9.391 -25.203 20.831 C11 JY1 1 JY1 C12 C2 C 0 1 N N N 8.685 -25.899 19.637 8.685 -25.899 19.637 C12 JY1 2 JY1 C13 C3 C 0 1 N N N 10.622 -23.508 22.145 10.622 -23.508 22.145 C13 JY1 3 JY1 C14 C4 C 0 1 N N N 11.742 -24.582 22.329 11.742 -24.582 22.329 C14 JY1 4 JY1 C15 C5 C 0 1 N N N 11.160 -22.664 16.819 11.160 -22.664 16.819 C15 JY1 5 JY1 C03 C6 C 0 1 N N N 7.495 -21.841 18.923 7.495 -21.841 18.923 C03 JY1 6 JY1 C04 C7 C 0 1 N N N 7.838 -22.933 17.865 7.838 -22.933 17.865 C04 JY1 7 JY1 C05 C8 C 0 1 N N N 9.051 -18.973 20.026 9.051 -18.973 20.026 C05 JY1 8 JY1 C06 C9 C 0 1 N N N 9.914 -17.898 19.291 9.914 -17.898 19.291 C06 JY1 9 JY1 C07 C10 C 0 1 N N N 10.186 -20.726 17.613 10.186 -20.726 17.613 C07 JY1 10 JY1 C09 C11 C 0 1 N N N 11.367 -23.440 18.981 11.367 -23.440 18.981 C09 JY1 11 JY1 C16 C12 C 0 1 N N N 11.143 -24.083 16.151 11.143 -24.083 16.151 C16 JY1 12 JY1 C19 C13 C 0 1 N N N 12.096 -25.749 14.443 12.096 -25.749 14.443 C19 JY1 13 JY1 C20 C14 C 0 1 N N N 13.210 -26.644 15.050 13.210 -26.644 15.050 C20 JY1 14 JY1 C22 C15 C 0 1 N N N 15.723 -26.966 14.466 15.723 -26.966 14.466 C22 JY1 15 JY1 C24 C16 C 0 1 N N N 16.873 -26.023 14.034 16.873 -26.023 14.034 C24 JY1 16 JY1 C25 C17 C 0 1 N N N 16.185 -24.735 13.601 16.185 -24.735 13.601 C25 JY1 17 JY1 C26 C18 C 0 1 N N N 14.906 -24.717 14.334 14.906 -24.717 14.334 C26 JY1 18 JY1 C29 C19 C 0 1 N N N 11.926 -19.390 20.823 11.926 -19.390 20.823 C29 JY1 19 JY1 C30 C20 C 0 1 N N N 12.634 -20.118 19.642 12.634 -20.118 19.642 C30 JY1 20 JY1 C31 C21 C 0 1 N N N 10.905 -21.124 23.692 10.905 -21.124 23.692 C31 JY1 21 JY1 C32 C22 C 0 1 N N N 9.832 -21.583 24.729 9.832 -21.583 24.729 C32 JY1 22 JY1 C33 C23 C 0 1 N N N 10.323 -18.966 22.648 10.323 -18.966 22.648 C33 JY1 23 JY1 C35 C24 C 0 1 N N N 7.591 -20.837 23.500 7.591 -20.837 23.500 C35 JY1 24 JY1 C37 C25 C 0 1 N N N 6.639 -23.414 21.330 6.639 -23.414 21.330 C37 JY1 25 JY1 C38 C26 C 0 1 N N N 5.883 -24.136 22.483 5.883 -24.136 22.483 C38 JY1 26 JY1 C39 C27 C 0 1 N N N 6.090 -20.994 21.542 6.090 -20.994 21.542 C39 JY1 27 JY1 C40 C28 C 0 1 N N N 6.375 -19.802 20.581 6.375 -19.802 20.581 C40 JY1 28 JY1 C41 C29 C 0 1 N N N 7.973 -18.653 22.651 7.973 -18.653 22.651 C41 JY1 29 JY1 C42 C30 C 0 1 N N N 7.606 -17.194 23.086 7.606 -17.194 23.086 C42 JY1 30 JY1 C45 C31 C 0 1 N N N 8.328 -14.860 23.874 8.328 -14.860 23.874 C45 JY1 31 JY1 C46 C32 C 0 1 N N N 8.707 -14.626 25.365 8.707 -14.626 25.365 C46 JY1 32 JY1 C48 C33 C 0 1 N N N 6.481 -14.929 26.806 6.481 -14.929 26.806 C48 JY1 33 JY1 C50 C34 C 0 1 N N N 5.555 -14.050 27.404 5.555 -14.050 27.404 C50 JY1 34 JY1 C51 C35 C 0 1 N N N 6.202 -12.553 27.300 6.202 -12.553 27.300 C51 JY1 35 JY1 C52 C36 C 0 1 N N N 7.218 -12.632 26.326 7.218 -12.632 26.326 C52 JY1 36 JY1 N08 N1 N 0 1 N N N 10.694 -22.626 17.295 10.694 -22.626 17.295 N08 JY1 37 JY1 N18 N2 N 0 1 N N N 12.111 -24.407 15.074 12.111 -24.407 15.074 N18 JY1 38 JY1 N21 N3 N 0 1 N N N 14.539 -26.157 14.642 14.539 -26.157 14.642 N21 JY1 39 JY1 N34 N4 N 0 1 N N N 8.334 -18.961 23.136 8.334 -18.961 23.136 N34 JY1 40 JY1 N44 N5 N 0 1 N N N 8.676 -16.242 23.462 8.676 -16.242 23.462 N44 JY1 41 JY1 N47 N6 N 0 1 N N N 7.546 -14.098 26.115 7.546 -14.098 26.115 N47 JY1 42 JY1 O17 O1 O 0 1 N N N 10.355 -24.900 16.508 10.355 -24.900 16.508 O17 JY1 43 JY1 O23 O2 O 0 1 N N N 15.800 -28.141 14.623 15.800 -28.141 14.623 O23 JY1 44 JY1 O27 O3 O 0 1 N N N 14.278 -23.754 14.629 14.278 -23.754 14.629 O27 JY1 45 JY1 O43 O4 O 0 1 N N N 6.469 -16.850 23.114 6.469 -16.850 23.114 O43 JY1 46 JY1 O49 O5 O 0 1 N N N 6.435 -16.115 26.837 6.435 -16.115 26.837 O49 JY1 47 JY1 O53 O6 O 0 1 N N N 7.726 -11.714 25.769 7.726 -11.714 25.769 O53 JY1 48 JY1 P02 P1 P 0 1 N N N 8.796 -20.488 18.968 8.796 -20.488 18.968 P02 JY1 49 JY1 P10 P2 P 0 1 N N N 9.991 -23.460 20.369 9.991 -23.460 20.369 P10 JY1 50 JY1 P28 P3 P 0 1 N N N 10.870 -20.595 21.860 10.870 -20.595 21.860 P28 JY1 51 JY1 P36 P4 P 0 1 N N N 7.683 -21.958 21.978 7.683 -21.958 21.978 P36 JY1 52 JY1 RH01 RH1 RH 0 0 N N N 9.318 -21.486 20.766 9.318 -21.486 20.766 RH01 JY1 53 JY1 H1 H1 H 0 1 N N N 8.683 -25.126 21.669 8.683 -25.126 21.669 H1 JY1 54 JY1 H2 H2 H 0 1 N N N 10.257 -25.809 21.137 10.257 -25.809 21.137 H2 JY1 55 JY1 H3 H3 H 0 1 N N N 8.353 -26.902 19.941 8.352 -26.902 19.941 H3 JY1 56 JY1 H4 H4 H 0 1 N N N 7.814 -25.302 19.328 7.814 -25.302 19.328 H4 JY1 57 JY1 H5 H5 H 0 1 N N N 9.388 -25.985 18.795 9.388 -25.985 18.795 H5 JY1 58 JY1 H6 H6 H 0 1 N N N 9.784 -23.748 22.815 9.784 -23.748 22.815 H6 JY1 59 JY1 H7 H7 H 0 1 N N N 11.029 -22.520 22.406 11.029 -22.520 22.406 H7 JY1 60 JY1 H8 H8 H 0 1 N N N 12.084 -24.580 23.374 12.084 -24.580 23.375 H8 JY1 61 JY1 H9 H9 H 0 1 N N N 11.343 -25.575 22.075 11.343 -25.575 22.076 H9 JY1 62 JY1 H10 H10 H 0 1 N N N 12.588 -24.347 21.666 12.588 -24.347 21.666 H10 JY1 63 JY1 H11 H11 H 0 1 N N N 12.149 -22.485 17.265 12.149 -22.485 17.265 H11 JY1 64 JY1 H12 H12 H 0 1 N N N 10.959 -21.900 16.053 10.959 -21.900 16.053 H12 JY1 65 JY1 H13 H13 H 0 1 N N N 6.523 -21.393 18.671 6.523 -21.393 18.671 H13 JY1 66 JY1 H14 H14 H 0 1 N N N 7.435 -22.312 19.915 7.435 -22.312 19.915 H14 JY1 67 JY1 H15 H15 H 0 1 N N N 7.055 -23.706 17.868 7.055 -23.706 17.868 H15 JY1 68 JY1 H16 H16 H 0 1 N N N 7.894 -22.472 16.868 7.894 -22.472 16.868 H16 JY1 69 JY1 H17 H17 H 0 1 N N N 8.807 -23.391 18.112 8.807 -23.391 18.112 H17 JY1 70 JY1 H18 H18 H 0 1 N N N 9.562 -19.268 20.954 9.562 -19.268 20.954 H18 JY1 71 JY1 H19 H19 H 0 1 N N N 8.070 -18.538 20.270 8.070 -18.538 20.270 H19 JY1 72 JY1 H20 H20 H 0 1 N N N 10.043 -17.022 19.943 10.043 -17.022 19.943 H20 JY1 73 JY1 H21 H21 H 0 1 N N N 10.899 -18.322 19.048 10.899 -18.322 19.048 H21 JY1 74 JY1 H22 H22 H 0 1 N N N 9.408 -17.593 18.363 9.408 -17.593 18.363 H22 JY1 75 JY1 H23 H23 H 0 1 N N N 10.916 -19.907 17.688 10.916 -19.907 17.688 H23 JY1 76 JY1 H24 H24 H 0 1 N N N 10.696 -21.687 17.776 10.696 -21.687 17.775 H24 JY1 77 JY1 H25 H25 H 0 1 N N N 9.728 -20.718 16.613 9.728 -20.718 16.613 H25 JY1 78 JY1 H26 H26 H 0 1 N N N 12.228 -22.857 19.340 12.228 -22.857 19.340 H26 JY1 79 JY1 H27 H27 H 0 1 N N N 11.683 -24.474 18.777 11.683 -24.474 18.777 H27 JY1 80 JY1 H28 H28 H 0 1 N N N 12.265 -25.643 13.361 12.265 -25.643 13.361 H28 JY1 81 JY1 H29 H29 H 0 1 N N N 11.117 -26.220 14.617 11.117 -26.220 14.617 H29 JY1 82 JY1 H30 H30 H 0 1 N N N 13.136 -26.620 16.147 13.136 -26.620 16.147 H30 JY1 83 JY1 H31 H31 H 0 1 N N N 13.078 -27.677 14.696 13.078 -27.677 14.696 H31 JY1 84 JY1 H32 H32 H 0 1 N N N 17.554 -25.833 14.876 17.554 -25.833 14.876 H32 JY1 85 JY1 H33 H33 H 0 1 N N N 17.438 -26.460 13.197 17.438 -26.460 13.197 H33 JY1 86 JY1 H34 H34 H 0 1 N N N 16.797 -23.861 13.870 16.797 -23.861 13.870 H34 JY1 87 JY1 H35 H35 H 0 1 N N N 16.008 -24.738 12.515 16.008 -24.738 12.515 H35 JY1 88 JY1 H36 H36 H 0 1 N N N 12.690 -18.936 21.472 12.690 -18.936 21.472 H36 JY1 89 JY1 H37 H37 H 0 1 N N N 11.274 -18.602 20.417 11.274 -18.602 20.417 H37 JY1 90 JY1 H38 H38 H 0 1 N N N 13.231 -19.393 19.069 13.231 -19.393 19.069 H38 JY1 91 JY1 H39 H39 H 0 1 N N N 13.293 -20.904 20.038 13.293 -20.904 20.038 H39 JY1 92 JY1 H40 H40 H 0 1 N N N 11.878 -20.571 18.984 11.877 -20.571 18.984 H40 JY1 93 JY1 H41 H41 H 0 1 N N N 11.366 -20.256 24.187 11.366 -20.256 24.187 H41 JY1 94 JY1 H42 H42 H 0 1 N N N 11.615 -21.964 23.689 11.615 -21.964 23.689 H42 JY1 95 JY1 H43 H43 H 0 1 N N N 10.319 -21.793 25.693 10.319 -21.793 25.693 H43 JY1 96 JY1 H44 H44 H 0 1 N N N 9.086 -20.786 24.861 9.086 -20.786 24.861 H44 JY1 97 JY1 H45 H45 H 0 1 N N N 9.335 -22.494 24.363 9.335 -22.494 24.364 H45 JY1 98 JY1 H46 H46 H 0 1 N N N 10.911 -18.801 23.563 10.911 -18.802 23.563 H46 JY1 99 JY1 H47 H47 H 0 1 N N N 10.514 -18.148 21.937 10.514 -18.149 21.937 H47 JY1 100 JY1 H48 H48 H 0 1 N N N 8.418 -20.112 23.472 8.418 -20.112 23.472 H48 JY1 101 JY1 H49 H49 H 0 1 N N N 6.631 -20.299 23.502 6.631 -20.299 23.502 H49 JY1 102 JY1 H50 H50 H 0 1 N N N 7.670 -21.449 24.411 7.670 -21.448 24.411 H50 JY1 103 JY1 H51 H51 H 0 1 N N N 7.303 -24.136 20.832 7.303 -24.136 20.832 H51 JY1 104 JY1 H52 H52 H 0 1 N N N 5.904 -23.032 20.606 5.904 -23.032 20.606 H52 JY1 105 JY1 H53 H53 H 0 1 N N N 5.293 -24.968 22.071 5.293 -24.968 22.071 H53 JY1 106 JY1 H54 H54 H 0 1 N N N 6.610 -24.527 23.210 6.610 -24.527 23.210 H54 JY1 107 JY1 H55 H55 H 0 1 N N N 5.211 -23.423 22.984 5.211 -23.423 22.984 H55 JY1 108 JY1 H56 H56 H 0 1 N N N 5.646 -20.604 22.470 5.646 -20.604 22.470 H56 JY1 109 JY1 H57 H57 H 0 1 N N N 5.381 -21.680 21.056 5.381 -21.681 21.056 H57 JY1 110 JY1 H58 H58 H 0 1 N N N 5.434 -19.277 20.358 5.434 -19.277 20.358 H58 JY1 111 JY1 H59 H59 H 0 1 N N N 7.078 -19.105 21.060 7.078 -19.105 21.060 H59 JY1 112 JY1 H60 H60 H 0 1 N N N 6.814 -20.181 19.646 6.814 -20.181 19.646 H60 JY1 113 JY1 H61 H61 H 0 1 N N N 7.048 -19.221 22.472 7.048 -19.221 22.472 H61 JY1 114 JY1 H62 H62 H 0 1 N N N 8.566 -18.617 21.725 8.566 -18.617 21.726 H62 JY1 115 JY1 H63 H63 H 0 1 N N N 7.246 -14.705 23.747 7.246 -14.705 23.747 H63 JY1 116 JY1 H64 H64 H 0 1 N N N 8.877 -14.145 23.244 8.877 -14.145 23.244 H64 JY1 117 JY1 H65 H65 H 0 1 N N N 9.024 -15.579 25.812 9.024 -15.580 25.812 H65 JY1 118 JY1 H66 H66 H 0 1 N N N 9.534 -13.902 25.420 9.533 -13.902 25.420 H66 JY1 119 JY1 H67 H67 H 0 1 N N N 4.595 -14.087 26.868 4.595 -14.087 26.868 H67 JY1 120 JY1 H68 H68 H 0 1 N N N 5.397 -14.323 28.458 5.397 -14.323 28.458 H68 JY1 121 JY1 H69 H69 H 0 1 N N N 5.435 -11.826 26.993 5.435 -11.826 26.993 H69 JY1 122 JY1 H70 H70 H 0 1 N N N 6.625 -12.252 28.270 6.626 -12.252 28.270 H70 JY1 123 JY1 H71 H71 H 0 1 N N N 9.875 -23.116 16.996 9.875 -23.116 16.996 H71 JY1 124 JY1 H73 H73 H 0 1 N N N 12.773 -23.721 14.774 12.773 -23.721 14.774 H73 JY1 125 JY1 H74 H74 H 0 1 N N N 8.016 -19.904 23.235 8.016 -19.904 23.235 H74 JY1 126 JY1 H76 H76 H 0 1 N N N 9.633 -16.531 23.438 9.633 -16.531 23.438 H76 JY1 127 # # 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 JY1 C11 C12 SING N N 1 JY1 C11 P10 SING N N 2 JY1 C13 C14 SING N N 3 JY1 C13 P10 SING N N 4 JY1 C15 C16 SING N N 5 JY1 C03 C04 SING N N 6 JY1 C03 P02 SING N N 7 JY1 C05 C06 SING N N 8 JY1 C05 P02 SING N N 9 JY1 C07 P02 SING N N 10 JY1 C09 P10 SING N N 11 JY1 C16 N18 SING N N 12 JY1 C16 O17 DOUB N N 13 JY1 C19 C20 SING N N 14 JY1 C19 N18 SING N N 15 JY1 C20 N21 SING N N 16 JY1 C22 C24 SING N N 17 JY1 C22 N21 SING N N 18 JY1 C22 O23 DOUB N N 19 JY1 C24 C25 SING N N 20 JY1 C25 C26 SING N N 21 JY1 C26 N21 SING N N 22 JY1 C26 O27 DOUB N N 23 JY1 C29 C30 SING N N 24 JY1 C29 P28 SING N N 25 JY1 C31 C32 SING N N 26 JY1 C31 P28 SING N N 27 JY1 C33 P28 SING N N 28 JY1 C35 P36 SING N N 29 JY1 C37 C38 SING N N 30 JY1 C37 P36 SING N N 31 JY1 C39 C40 SING N N 32 JY1 C39 P36 SING N N 33 JY1 C41 C42 SING N N 34 JY1 C42 N44 SING N N 35 JY1 C42 O43 DOUB N N 36 JY1 C45 C46 SING N N 37 JY1 C45 N44 SING N N 38 JY1 C46 N47 SING N N 39 JY1 C48 C50 SING N N 40 JY1 C48 N47 SING N N 41 JY1 C48 O49 DOUB N N 42 JY1 C50 C51 SING N N 43 JY1 C51 C52 SING N N 44 JY1 C52 N47 SING N N 45 JY1 C52 O53 DOUB N N 46 JY1 P02 RH01 SING N N 47 JY1 P10 RH01 SING N N 48 JY1 P28 RH01 SING N N 49 JY1 P36 RH01 SING N N 50 JY1 C09 N08 SING N N 51 JY1 N08 C15 SING N N 52 JY1 C33 N34 SING N N 53 JY1 N34 C41 SING N N 54 JY1 C11 H1 SING N N 55 JY1 C11 H2 SING N N 56 JY1 C12 H3 SING N N 57 JY1 C12 H4 SING N N 58 JY1 C12 H5 SING N N 59 JY1 C13 H6 SING N N 60 JY1 C13 H7 SING N N 61 JY1 C14 H8 SING N N 62 JY1 C14 H9 SING N N 63 JY1 C14 H10 SING N N 64 JY1 C15 H11 SING N N 65 JY1 C15 H12 SING N N 66 JY1 C03 H13 SING N N 67 JY1 C03 H14 SING N N 68 JY1 C04 H15 SING N N 69 JY1 C04 H16 SING N N 70 JY1 C04 H17 SING N N 71 JY1 C05 H18 SING N N 72 JY1 C05 H19 SING N N 73 JY1 C06 H20 SING N N 74 JY1 C06 H21 SING N N 75 JY1 C06 H22 SING N N 76 JY1 C07 H23 SING N N 77 JY1 C07 H24 SING N N 78 JY1 C07 H25 SING N N 79 JY1 C09 H26 SING N N 80 JY1 C09 H27 SING N N 81 JY1 C19 H28 SING N N 82 JY1 C19 H29 SING N N 83 JY1 C20 H30 SING N N 84 JY1 C20 H31 SING N N 85 JY1 C24 H32 SING N N 86 JY1 C24 H33 SING N N 87 JY1 C25 H34 SING N N 88 JY1 C25 H35 SING N N 89 JY1 C29 H36 SING N N 90 JY1 C29 H37 SING N N 91 JY1 C30 H38 SING N N 92 JY1 C30 H39 SING N N 93 JY1 C30 H40 SING N N 94 JY1 C31 H41 SING N N 95 JY1 C31 H42 SING N N 96 JY1 C32 H43 SING N N 97 JY1 C32 H44 SING N N 98 JY1 C32 H45 SING N N 99 JY1 C33 H46 SING N N 100 JY1 C33 H47 SING N N 101 JY1 C35 H48 SING N N 102 JY1 C35 H49 SING N N 103 JY1 C35 H50 SING N N 104 JY1 C37 H51 SING N N 105 JY1 C37 H52 SING N N 106 JY1 C38 H53 SING N N 107 JY1 C38 H54 SING N N 108 JY1 C38 H55 SING N N 109 JY1 C39 H56 SING N N 110 JY1 C39 H57 SING N N 111 JY1 C40 H58 SING N N 112 JY1 C40 H59 SING N N 113 JY1 C40 H60 SING N N 114 JY1 C41 H61 SING N N 115 JY1 C41 H62 SING N N 116 JY1 C45 H63 SING N N 117 JY1 C45 H64 SING N N 118 JY1 C46 H65 SING N N 119 JY1 C46 H66 SING N N 120 JY1 C50 H67 SING N N 121 JY1 C50 H68 SING N N 122 JY1 C51 H69 SING N N 123 JY1 C51 H70 SING N N 124 JY1 N08 H71 SING N N 125 JY1 N18 H73 SING N N 126 JY1 N34 H74 SING N N 127 JY1 N44 H76 SING N N 128 # # 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 JY1 SMILES ACDLabs 12.01 "C(C)P(CC)(CNCC(NCCN1C(CCC1=O)=O)=O)[Rh](P(CC)(CC)C)(P(CC)(CC)CNCC(NCCN2C(CCC2=O)=O)=O)P(C)(CC)CC" JY1 InChI InChI 1.03 "InChI=1S/2C13H24N3O3P.2C5H13P.Rh/c2*1-3-20(4-2)10-14-9-11(17)15-7-8-16-12(18)5-6-13(16)19;2*1-4-6(3)5-2;/h2*14H,3-10H2,1-2H3,(H,15,17);2*4-5H2,1-3H3;/q;;;;-4/p+4" JY1 InChIKey InChI 1.03 WBSWUPZUVFVXQZ-UHFFFAOYSA-R JY1 SMILES_CANONICAL CACTVS 3.385 "[Rh].CCP(C)CC.CCP(C)CC.CCP(CC)CNCC(=O)NCCN1C(=O)CCC1=O.CCP(CC)CNCC(=O)NCCN2C(=O)CCC2=O" JY1 SMILES CACTVS 3.385 "[Rh].CCP(C)CC.CCP(C)CC.CCP(CC)CNCC(=O)NCCN1C(=O)CCC1=O.CCP(CC)CNCC(=O)NCCN2C(=O)CCC2=O" JY1 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)CCC2=O" JY1 SMILES "OpenEye OEToolkits" 2.0.7 "CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)CCC2=O" # # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier JY1 "SYSTEMATIC NAME" ACDLabs 12.01 "bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium (non-preferred name)" JY1 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "bis[[[2-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylamino]-2-oxidanylidene-ethyl]amino]methyl-diethyl-$l^{4}-phosphanyl]-bis[diethyl(methyl)-$l^{4}-phosphanyl]rhodium" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site JY1 "Create component" 2018-10-16 RCSB JY1 "Initial release" 2019-02-06 RCSB JY1 "Other modification" 2020-01-18 RCSB ##