data_JZT # _chem_comp.id JZT _chem_comp.name ;(2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C39 H64 N6 O7" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2009-12-08 _chem_comp.pdbx_modified_date 2011-06-04 _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 728.961 _chem_comp.one_letter_code ? _chem_comp.three_letter_code JZT _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 3KNX _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 JZT C1 C1 C 0 1 N N N 191.179 -10.229 48.651 2.458 -0.386 -0.002 C1 JZT 1 JZT O2 O2 O 0 1 N N N 191.581 -11.042 49.492 2.150 -1.295 0.744 O2 JZT 2 JZT N3 N3 N 0 1 N N N 189.898 -10.072 48.346 3.539 -0.505 -0.798 N3 JZT 3 JZT O4 O4 O 0 1 N N N 188.294 -9.823 45.488 5.521 1.151 -1.827 O4 JZT 4 JZT O5 O5 O 0 1 N N N 189.299 -13.684 47.676 7.097 -1.815 1.032 O5 JZT 5 JZT N6 N6 N 0 1 N N N 188.788 -11.754 46.620 6.319 -0.335 -0.406 N6 JZT 6 JZT C7 C7 C 0 1 N N S 188.836 -10.923 48.882 4.342 -1.730 -0.765 C7 JZT 7 JZT C8 C8 C 0 1 N N N 188.135 -10.435 50.176 3.722 -2.772 -1.698 C8 JZT 8 JZT C9 C9 C 0 1 N N N 187.828 -8.940 50.144 2.297 -3.084 -1.239 C9 JZT 9 JZT C10 C10 C 0 1 N N N 186.845 -11.225 50.379 3.689 -2.222 -3.126 C10 JZT 10 JZT C11 C11 C 0 1 N N N 189.034 -10.748 51.374 4.561 -4.051 -1.663 C11 JZT 11 JZT C12 C12 C 0 1 N N N 188.928 -10.902 45.577 6.137 0.933 -0.806 C12 JZT 12 JZT C13 C13 C 0 1 N N N 189.890 -11.247 44.451 6.684 2.089 -0.012 C13 JZT 13 JZT C14 C14 C 0 1 N N N 190.399 -12.659 44.416 6.747 1.698 1.469 C14 JZT 14 JZT C15 C15 C 0 1 N N N 190.342 -13.356 45.746 7.576 0.416 1.600 C15 JZT 15 JZT C16 C16 C 0 1 N N N 189.456 -12.925 46.696 6.981 -0.650 0.718 C16 JZT 16 JZT C17 C17 C 0 1 N N N 187.881 -11.348 47.750 5.768 -1.417 -1.225 C17 JZT 17 JZT C18 C18 C 0 1 N N N 191.897 -12.533 44.093 5.331 1.451 1.995 C18 JZT 18 JZT C19 C19 C 0 1 N N N 189.610 -13.460 43.386 7.408 2.822 2.270 C19 JZT 19 JZT N20 N20 N 0 1 N N N 191.970 -9.371 48.015 1.716 0.739 -0.037 N20 JZT 20 JZT C21 C21 C 0 1 N N S 193.417 -9.486 48.009 0.539 0.865 0.823 C21 JZT 21 JZT C22 C22 C 0 1 N N N 193.942 -8.660 49.177 -0.653 0.236 0.155 C22 JZT 22 JZT O23 O23 O 0 1 N N N 193.599 -7.481 49.310 -1.140 0.748 -0.831 O23 JZT 23 JZT C24 C24 C 0 1 N N N 193.979 -8.978 46.682 0.265 2.333 1.133 C24 JZT 24 JZT C25 C25 C 0 1 N N N 195.378 -8.385 46.763 0.119 3.152 -0.148 C25 JZT 25 JZT C26 C26 C 0 1 N N N 195.702 -7.548 45.527 0.147 4.644 0.205 C26 JZT 26 JZT C27 C27 C 0 1 N N N 195.991 -6.089 45.878 -0.772 5.412 -0.746 C27 JZT 27 JZT C28 C28 C 0 1 N N N 194.728 -5.355 46.285 -2.155 5.564 -0.110 C28 JZT 28 JZT N29 N29 N 0 1 N N N 194.705 -9.293 50.082 -1.176 -0.909 0.635 N29 JZT 29 JZT C30 C30 C 0 1 N N N 194.946 -10.744 50.137 -0.549 -1.760 1.652 C30 JZT 30 JZT C31 C31 C 0 1 N N S 195.267 -8.616 51.254 -2.453 -1.492 0.226 C31 JZT 31 JZT C32 C32 C 0 1 N N R 195.898 -9.665 52.122 -2.541 -2.917 0.792 C32 JZT 32 JZT C33 C33 C 0 1 N N S 195.551 -10.981 51.496 -1.312 -3.088 1.698 C33 JZT 33 JZT C34 C34 C 0 1 N N N 194.856 -10.576 52.787 -1.453 -3.928 0.429 C34 JZT 34 JZT C35 C35 C 0 1 N N N 195.279 -11.291 54.031 -1.789 -5.412 0.605 C35 JZT 35 JZT C36 C36 C 0 1 N N N 193.384 -10.302 52.676 -0.535 -3.605 -0.750 C36 JZT 36 JZT C37 C37 C 0 1 N N N 196.195 -7.473 50.884 -3.599 -0.669 0.748 C37 JZT 37 JZT O38 O38 O 0 1 N N N 197.203 -7.666 50.202 -4.595 -1.217 1.176 O38 JZT 38 JZT N39 N39 N 0 1 N N N 195.888 -6.284 51.382 -3.497 0.689 0.749 N39 JZT 39 JZT C40 C40 C 0 1 N N S 196.711 -5.124 51.073 -4.760 1.440 0.552 C40 JZT 40 JZT C41 C41 C 0 1 N N N 195.859 -4.047 50.386 -4.446 2.931 0.586 C41 JZT 41 JZT C42 C42 C 0 1 N N N 195.221 -4.509 49.093 -4.939 3.662 -0.658 C42 JZT 42 JZT C43 C43 C 0 1 N N N 195.895 -3.845 47.915 -4.586 5.152 -0.531 C43 JZT 43 JZT C44 C44 C 0 1 N N N 195.022 -3.917 46.678 -3.228 5.404 -1.188 C44 JZT 44 JZT O45 O45 O 0 1 N N N 197.963 -5.661 53.109 -4.496 1.320 -1.844 O45 JZT 45 JZT C46 C46 C 0 1 N N R 197.471 -4.565 52.312 -5.396 1.027 -0.773 C46 JZT 46 JZT O47 O47 O 0 1 N N N 198.441 -2.723 51.306 -5.106 -1.195 -1.513 O47 JZT 47 JZT N48 N48 N 0 1 N N N 199.799 -4.488 51.372 -6.594 -0.947 0.114 N48 JZT 48 JZT C49 C49 C 0 1 N N N 200.987 -3.788 50.876 -6.877 -2.384 0.135 C49 JZT 49 JZT C50 C50 C 0 1 N N N 201.261 -4.086 49.386 -7.919 -2.675 1.184 C50 JZT 50 JZT C51 C51 C 0 1 N N N 200.494 -5.030 48.693 -9.017 -3.311 0.859 C51 JZT 51 JZT C54 C54 C 0 1 N N N 198.646 -3.885 51.626 -5.687 -0.451 -0.751 C54 JZT 52 JZT H51 H51 H 0 1 N N N 199.701 -5.559 49.200 -9.763 -3.520 1.611 H51 JZT 53 JZT H51A H51A H 0 0 N N N 200.696 -5.230 47.651 -9.175 -3.627 -0.162 H51A JZT 54 JZT HN3 HN3 H 0 1 N N N 189.646 -9.335 47.719 3.785 0.221 -1.394 HN3 JZT 55 JZT H7 H7 H 0 1 N N N 189.337 -11.823 49.268 4.366 -2.121 0.252 H7 JZT 56 JZT H9 H9 H 0 1 N N N 187.333 -8.647 51.082 1.699 -2.173 -1.263 H9 JZT 57 JZT H9A H9A H 0 1 N N N 188.766 -8.376 50.032 1.855 -3.826 -1.903 H9A JZT 58 JZT H9B H9B H 0 1 N N N 187.164 -8.720 49.295 2.320 -3.475 -0.221 H9B JZT 59 JZT H10 H10 H 0 1 N N N 186.345 -10.882 51.296 4.705 -2.000 -3.453 H10 JZT 60 JZT H10A H10A H 0 0 N N N 186.179 -11.068 49.518 3.247 -2.964 -3.791 H10A JZT 61 JZT H10B H10B H 0 0 N N N 187.081 -12.296 50.469 3.091 -1.311 -3.151 H10B JZT 62 JZT H11 H11 H 0 1 N N N 188.546 -10.406 52.299 4.585 -4.442 -0.646 H11 JZT 63 JZT H11A H11A H 0 0 N N N 189.205 -11.833 51.430 4.120 -4.793 -2.328 H11A JZT 64 JZT H11B H11B H 0 0 N N N 189.997 -10.230 51.255 5.577 -3.828 -1.991 H11B JZT 65 JZT H13 H13 H 0 1 N N N 189.360 -11.068 43.504 7.685 2.334 -0.366 H13 JZT 66 JZT H13A H13A H 0 0 N N N 190.765 -10.588 44.557 6.032 2.955 -0.133 H13A JZT 67 JZT H15 H15 H 0 1 N N N 190.080 -14.403 45.534 8.602 0.613 1.291 H15 JZT 68 JZT H15A H15A H 0 0 N N N 191.343 -13.254 46.190 7.564 0.079 2.636 H15A JZT 69 JZT H17 H17 H 0 1 N N N 187.225 -10.517 47.452 5.753 -1.110 -2.270 H17 JZT 70 JZT H17A H17A H 0 0 N N N 187.241 -12.185 48.065 6.388 -2.307 -1.116 H17A JZT 71 JZT H18 H18 H 0 1 N N N 192.349 -13.535 44.049 4.868 0.644 1.427 H18 JZT 72 JZT H18A H18A H 0 0 N N N 192.022 -12.032 43.122 5.379 1.173 3.048 H18A JZT 73 JZT H18B H18B H 0 0 N N N 192.393 -11.942 44.877 4.739 2.359 1.886 H18B JZT 74 JZT H19 H19 H 0 1 N N N 189.983 -14.494 43.361 6.825 3.737 2.161 H19 JZT 75 JZT H19A H19A H 0 0 N N N 188.545 -13.461 43.661 7.451 2.541 3.322 H19A JZT 76 JZT H19B H19B H 0 0 N N N 189.732 -13.002 42.393 8.418 2.988 1.896 H19B JZT 77 JZT HN20 HN20 H 0 0 N N N 191.549 -8.612 47.518 1.962 1.464 -0.632 HN20 JZT 78 JZT H21 H21 H 0 1 N N N 193.730 -10.535 48.117 0.735 0.340 1.765 H21 JZT 79 JZT H24 H24 H 0 1 N N N 194.017 -9.830 45.987 -0.657 2.412 1.716 H24 JZT 80 JZT H24A H24A H 0 0 N N N 193.304 -8.192 46.312 1.088 2.738 1.727 H24A JZT 81 JZT H25 H25 H 0 1 N N N 195.440 -7.742 47.653 0.934 2.935 -0.834 H25 JZT 82 JZT H25A H25A H 0 0 N N N 196.107 -9.205 46.837 -0.833 2.919 -0.627 H25A JZT 83 JZT H26 H26 H 0 1 N N N 196.591 -7.974 45.039 -0.194 4.778 1.231 H26 JZT 84 JZT H26A H26A H 0 0 N N N 194.839 -7.580 44.846 1.166 5.017 0.108 H26A JZT 85 JZT H27 H27 H 0 1 N N N 196.703 -6.060 46.716 -0.352 6.399 -0.940 H27 JZT 86 JZT H27A H27A H 0 0 N N N 196.422 -5.591 44.997 -0.862 4.867 -1.685 H27A JZT 87 JZT H28 H28 H 0 1 N N N 194.029 -5.355 45.436 -2.289 4.799 0.655 H28 JZT 88 JZT H28A H28A H 0 0 N N N 194.279 -5.873 47.145 -2.240 6.551 0.345 H28A JZT 89 JZT H30 H30 H 0 1 N N N 194.008 -11.306 50.018 0.494 -1.944 1.387 H30 JZT 90 JZT H30A H30A H 0 0 N N N 195.632 -11.062 49.338 -0.593 -1.272 2.626 H30A JZT 91 JZT H31 H31 H 0 1 N N N 194.471 -8.115 51.825 -2.505 -1.530 -0.863 H31 JZT 92 JZT H32 H32 H 0 1 N N N 196.791 -9.146 52.500 -3.521 -3.269 1.103 H32 JZT 93 JZT H33 H33 H 0 1 N N N 196.014 -11.942 51.227 -1.383 -3.586 2.664 H33 JZT 94 JZT H35 H35 H 0 1 N N N 194.446 -11.905 54.403 -2.644 -5.668 -0.021 H35 JZT 95 JZT H35A H35A H 0 0 N N N 196.140 -11.938 53.807 -0.930 -6.016 0.312 H35A JZT 96 JZT H35B H35B H 0 0 N N N 195.563 -10.555 54.798 -2.032 -5.608 1.650 H35B JZT 97 JZT H36 H36 H 0 1 N N N 192.824 -11.075 53.224 -0.002 -2.675 -0.552 H36 JZT 98 JZT H36A H36A H 0 0 N N N 193.162 -9.314 53.106 0.183 -4.415 -0.884 H36A JZT 99 JZT H36B H36B H 0 0 N N N 193.087 -10.316 51.617 -1.132 -3.496 -1.656 H36B JZT 100 JZT HN39 HN39 H 0 0 N N N 195.087 -6.183 51.973 -2.652 1.155 0.839 HN39 JZT 101 JZT H40 H40 H 0 1 N N N 197.497 -5.451 50.376 -5.445 1.197 1.371 H40 JZT 102 JZT H41 H41 H 0 1 N N N 195.055 -3.754 51.078 -4.914 3.375 1.472 H41 JZT 103 JZT H41A H41A H 0 0 N N N 196.510 -3.190 50.158 -3.363 3.066 0.674 H41A JZT 104 JZT H42 H42 H 0 1 N N N 195.329 -5.600 49.005 -4.449 3.277 -1.551 H42 JZT 105 JZT H42A H42A H 0 0 N N N 194.154 -4.241 49.099 -6.022 3.576 -0.747 H42A JZT 106 JZT H43 H43 H 0 1 N N N 196.083 -2.789 48.159 -5.350 5.744 -1.033 H43 JZT 107 JZT H43A H43A H 0 0 N N N 196.846 -4.358 47.711 -4.541 5.423 0.522 H43A JZT 108 JZT H44 H44 H 0 1 N N N 195.545 -3.422 45.846 -3.277 6.314 -1.787 H44 JZT 109 JZT H44A H44A H 0 0 N N N 194.071 -3.405 46.886 -2.972 4.563 -1.831 H44A JZT 110 JZT HO45 HO45 H 0 0 N N N 198.427 -5.320 53.865 -3.646 0.862 -1.780 HO45 JZT 111 JZT H46 H46 H 0 1 N N N 196.873 -3.923 52.975 -6.325 1.579 -0.918 H46 JZT 112 JZT HN48 HN48 H 0 0 N N N 199.861 -5.474 51.527 -7.058 -0.352 0.723 HN48 JZT 113 JZT H49 H49 H 0 1 N N N 200.830 -2.706 50.994 -7.248 -2.695 -0.841 H49 JZT 114 JZT H49A H49A H 0 0 N N N 201.857 -4.115 51.464 -5.964 -2.931 0.368 H49A JZT 115 JZT H50 H50 H 0 1 N N N 202.053 -3.561 48.873 -7.760 -2.359 2.205 H50 JZT 116 # 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 JZT N20 C1 SING N N 1 JZT N3 C1 SING N N 2 JZT C1 O2 DOUB N N 3 JZT N3 C7 SING N N 4 JZT N3 HN3 SING N N 5 JZT O4 C12 DOUB N N 6 JZT C16 O5 DOUB N N 7 JZT C12 N6 SING N N 8 JZT N6 C16 SING N N 9 JZT N6 C17 SING N N 10 JZT C17 C7 SING N N 11 JZT C7 C8 SING N N 12 JZT C7 H7 SING N N 13 JZT C9 C8 SING N N 14 JZT C8 C10 SING N N 15 JZT C8 C11 SING N N 16 JZT C9 H9 SING N N 17 JZT C9 H9A SING N N 18 JZT C9 H9B SING N N 19 JZT C10 H10 SING N N 20 JZT C10 H10A SING N N 21 JZT C10 H10B SING N N 22 JZT C11 H11 SING N N 23 JZT C11 H11A SING N N 24 JZT C11 H11B SING N N 25 JZT C13 C12 SING N N 26 JZT C14 C13 SING N N 27 JZT C13 H13 SING N N 28 JZT C13 H13A SING N N 29 JZT C19 C14 SING N N 30 JZT C18 C14 SING N N 31 JZT C14 C15 SING N N 32 JZT C15 C16 SING N N 33 JZT C15 H15 SING N N 34 JZT C15 H15A SING N N 35 JZT C17 H17 SING N N 36 JZT C17 H17A SING N N 37 JZT C18 H18 SING N N 38 JZT C18 H18A SING N N 39 JZT C18 H18B SING N N 40 JZT C19 H19 SING N N 41 JZT C19 H19A SING N N 42 JZT C19 H19B SING N N 43 JZT C21 N20 SING N N 44 JZT N20 HN20 SING N N 45 JZT C24 C21 SING N N 46 JZT C21 C22 SING N N 47 JZT C21 H21 SING N N 48 JZT C22 O23 DOUB N N 49 JZT C22 N29 SING N N 50 JZT C24 C25 SING N N 51 JZT C24 H24 SING N N 52 JZT C24 H24A SING N N 53 JZT C26 C25 SING N N 54 JZT C25 H25 SING N N 55 JZT C25 H25A SING N N 56 JZT C26 C27 SING N N 57 JZT C26 H26 SING N N 58 JZT C26 H26A SING N N 59 JZT C27 C28 SING N N 60 JZT C27 H27 SING N N 61 JZT C27 H27A SING N N 62 JZT C28 C44 SING N N 63 JZT C28 H28 SING N N 64 JZT C28 H28A SING N N 65 JZT N29 C30 SING N N 66 JZT N29 C31 SING N N 67 JZT C30 C33 SING N N 68 JZT C30 H30 SING N N 69 JZT C30 H30A SING N N 70 JZT C37 C31 SING N N 71 JZT C31 C32 SING N N 72 JZT C31 H31 SING N N 73 JZT C33 C32 SING N N 74 JZT C32 C34 SING N N 75 JZT C32 H32 SING N N 76 JZT C33 C34 SING N N 77 JZT C33 H33 SING N N 78 JZT C36 C34 SING N N 79 JZT C34 C35 SING N N 80 JZT C35 H35 SING N N 81 JZT C35 H35A SING N N 82 JZT C35 H35B SING N N 83 JZT C36 H36 SING N N 84 JZT C36 H36A SING N N 85 JZT C36 H36B SING N N 86 JZT O38 C37 DOUB N N 87 JZT C37 N39 SING N N 88 JZT C40 N39 SING N N 89 JZT N39 HN39 SING N N 90 JZT C41 C40 SING N N 91 JZT C40 C46 SING N N 92 JZT C40 H40 SING N N 93 JZT C42 C41 SING N N 94 JZT C41 H41 SING N N 95 JZT C41 H41A SING N N 96 JZT C43 C42 SING N N 97 JZT C42 H42 SING N N 98 JZT C42 H42A SING N N 99 JZT C44 C43 SING N N 100 JZT C43 H43 SING N N 101 JZT C43 H43A SING N N 102 JZT C44 H44 SING N N 103 JZT C44 H44A SING N N 104 JZT C46 O45 SING N N 105 JZT O45 HO45 SING N N 106 JZT C54 C46 SING N N 107 JZT C46 H46 SING N N 108 JZT O47 C54 DOUB N N 109 JZT C49 N48 SING N N 110 JZT N48 C54 SING N N 111 JZT N48 HN48 SING N N 112 JZT C50 C49 SING N N 113 JZT C49 H49 SING N N 114 JZT C49 H49A SING N N 115 JZT C51 C50 DOUB N N 116 JZT C50 H50 SING N N 117 JZT H51A C51 SING N N 118 JZT C51 H51 SING N N 119 # 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 JZT SMILES_CANONICAL CACTVS 3.352 "CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)N[C@H]2CCCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)[C@@H](O)C(=O)NCC=C" JZT SMILES CACTVS 3.352 "CC(C)(C)[CH](CN1C(=O)CC(C)(C)CC1=O)NC(=O)N[CH]2CCCCCCCCC[CH](NC(=O)[CH]3[CH]4[CH](CN3C2=O)C4(C)C)[CH](O)C(=O)NCC=C" JZT SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CC1(CC(=O)N(C(=O)C1)C[C@H](C(C)(C)C)NC(=O)N[C@H]2CCCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C2=O)[C@H](C(=O)NCC=C)O)C" JZT SMILES "OpenEye OEToolkits" 1.7.0 "CC1(CC(=O)N(C(=O)C1)CC(C(C)(C)C)NC(=O)NC2CCCCCCCCCC(NC(=O)C3C4C(C4(C)C)CN3C2=O)C(C(=O)NCC=C)O)C" JZT InChI InChI 1.03 ;InChI=1S/C39H64N6O7/c1-9-19-40-34(50)32(48)25-17-15-13-11-10-12-14-16-18-26(35(51)45-22-24-30(39(24,7)8)31(45)33(49)41-25)42-36(52)43-27(37(2,3)4)23-44-28(46)20-38(5,6)21-29(44)47/h9,24-27,30-32,48H,1,10-23H2,2-8H3,(H,40,50)(H,41,49)(H2,42,43,52)/t24-,25-,26-,27+,30-,31-,32+/m0/s1 ; JZT InChIKey InChI 1.03 OCBUWZICDFQHBN-MHXQYHMZSA-N # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site JZT "Create component" 2009-12-08 RCSB JZT "Modify descriptor" 2011-06-04 RCSB #