data_2OJ # _chem_comp.id 2OJ _chem_comp.name "N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C40 H50 Cl N3 O14 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2013-12-16 _chem_comp.pdbx_modified_date 2014-01-10 _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 864.355 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 2OJ _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 4NZE _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 2OJ CL1 CL1 CL 0 0 N N N 15.293 -6.581 10.612 11.714 -2.528 2.016 CL1 2OJ 1 2OJ C2 C2 C 0 1 Y N N 15.519 -8.131 11.583 11.208 -1.016 1.329 C2 2OJ 2 2OJ S3 S3 S 0 1 Y N N 14.495 -8.454 12.931 9.544 -0.579 0.965 S3 2OJ 3 2OJ C4 C4 C 0 1 Y N N 16.434 -9.088 11.336 12.027 -0.008 1.003 C4 2OJ 4 2OJ C5 C5 C 0 1 Y N N 16.346 -10.119 12.234 11.407 1.101 0.472 C5 2OJ 5 2OJ C6 C6 C 0 1 Y N N 15.364 -9.923 13.139 10.054 0.993 0.364 C6 2OJ 6 2OJ C7 C7 C 0 1 Y N N 14.962 -10.828 14.248 9.159 2.031 -0.166 C7 2OJ 7 2OJ O8 O8 O 0 1 Y N N 14.342 -10.419 15.270 9.512 3.243 -0.635 O8 2OJ 8 2OJ N9 N9 N 0 1 Y N N 14.078 -11.519 16.083 8.547 3.872 -1.002 N9 2OJ 9 2OJ C10 C10 C 0 1 Y N N 15.113 -12.146 14.233 7.793 1.959 -0.291 C10 2OJ 10 2OJ C11 C11 C 0 1 Y N N 14.588 -12.585 15.393 7.438 3.204 -0.843 C11 2OJ 11 2OJ C12 C12 C 0 1 N N N 14.555 -14.034 15.826 6.049 3.671 -1.192 C12 2OJ 12 2OJ O13 O13 O 0 1 N N N 13.463 -14.664 15.157 5.124 2.599 -0.998 O13 2OJ 13 2OJ C14 C14 C 0 1 Y N N 13.620 -15.825 14.439 3.803 2.889 -1.146 C14 2OJ 14 2OJ C15 C15 C 0 1 Y N N 14.612 -16.746 14.755 3.412 4.149 -1.572 C15 2OJ 15 2OJ C16 C16 C 0 1 Y N N 14.725 -17.904 13.993 2.070 4.445 -1.722 C16 2OJ 16 2OJ C17 C17 C 0 1 Y N N 13.849 -18.134 12.931 1.112 3.487 -1.448 C17 2OJ 17 2OJ C19 C19 C 0 1 Y N N 12.753 -16.051 13.383 2.843 1.920 -0.874 C19 2OJ 18 2OJ N20 N20 N 0 1 N N N 11.833 -15.107 13.189 3.233 0.643 -0.442 N20 2OJ 19 2OJ C21 C21 C 0 1 N N N 10.540 -15.385 13.029 2.538 -0.443 -0.834 C21 2OJ 20 2OJ C22 C22 C 0 1 N N N 9.762 -14.517 12.075 2.911 -1.806 -0.310 C22 2OJ 21 2OJ C23 C23 C 0 1 N N N 8.366 -14.268 12.646 2.618 -2.863 -1.379 C23 2OJ 22 2OJ C24 C24 C 0 1 N N N 7.225 -14.598 11.686 2.941 -4.250 -0.820 C24 2OJ 23 2OJ N25 N25 N 0 1 N N N 7.410 -13.991 10.345 2.127 -4.499 0.377 N25 2OJ 24 2OJ C26 C26 C 0 1 N N N 6.934 -12.592 10.280 2.309 -5.874 0.861 C26 2OJ 25 2OJ C27 C27 C 0 1 N N N 5.526 -12.479 10.845 1.447 -6.095 2.105 C27 2OJ 26 2OJ C28 C28 C 0 1 N N N 6.916 -12.145 8.826 1.889 -6.859 -0.232 C28 2OJ 27 2OJ C29 C29 C 0 1 N N N 8.801 -14.114 9.842 2.426 -3.525 1.434 C29 2OJ 28 2OJ C30 C30 C 0 1 N N N 9.639 -15.087 10.672 2.087 -2.116 0.942 C30 2OJ 29 2OJ O31 O31 O 0 1 N N N 9.963 -16.184 13.747 1.612 -0.324 -1.608 O31 2OJ 30 2OJ C18 C18 C 0 1 Y N N 12.856 -17.204 12.620 1.493 2.224 -1.020 C18 2OJ 31 2OJ O32 O32 O 0 1 N N N 11.981 -17.413 11.582 0.549 1.284 -0.750 O32 2OJ 32 2OJ C33 C33 C 0 1 N N N 12.021 -18.563 10.740 -0.817 1.665 -0.928 C33 2OJ 33 2OJ C34 C34 C 0 1 N N N 10.583 -19.053 10.592 -1.725 0.484 -0.578 C34 2OJ 34 2OJ C35 C35 C 0 1 N N N 10.287 -19.771 9.280 -3.188 0.892 -0.769 C35 2OJ 35 2OJ O36 O36 O 0 1 N N N 9.494 -20.925 9.574 -4.036 -0.210 -0.443 O36 2OJ 36 2OJ C37 C37 C 0 1 N N R 8.319 -21.047 8.756 -5.431 0.067 -0.588 C37 2OJ 37 2OJ O38 O38 O 0 1 N N N 7.517 -19.852 8.886 -5.819 1.068 0.355 O38 2OJ 38 2OJ C46 C46 C 0 1 N N R 7.526 -22.337 9.055 -6.234 -1.211 -0.333 C46 2OJ 39 2OJ O47 O47 O 0 1 N N N 7.086 -22.972 7.850 -5.884 -2.211 -1.327 O47 2OJ 40 2OJ C85 C85 C 0 1 N N N 8.121 -23.356 6.894 -4.867 -3.035 -1.030 C85 2OJ 41 2OJ O86 O86 O 0 1 N N N 8.540 -22.521 6.103 -4.288 -2.925 0.025 O86 2OJ 42 2OJ C87 C87 C 0 1 N N N 8.607 -24.776 6.869 -4.447 -4.097 -2.013 C87 2OJ 43 2OJ C44 C44 C 0 1 N N S 6.280 -21.949 9.852 -7.729 -0.893 -0.431 C44 2OJ 44 2OJ O45 O45 O 0 1 N N N 5.471 -23.018 10.348 -8.500 -2.082 -0.118 O45 2OJ 45 2OJ C88 C88 C 0 1 N N N 4.085 -22.801 9.929 -8.814 -2.893 -1.141 C88 2OJ 46 2OJ C89 C89 C 0 1 N N N 3.361 -21.522 10.251 -9.613 -4.146 -0.892 C89 2OJ 47 2OJ O90 O90 O 0 1 N N N 3.531 -23.691 9.305 -8.457 -2.617 -2.261 O90 2OJ 48 2OJ C42 C42 C 0 1 N N R 6.761 -20.963 10.899 -8.071 0.217 0.567 C42 2OJ 49 2OJ O42 O42 O 0 1 N N N 6.014 -20.930 12.114 -9.470 0.578 0.431 O42 2OJ 50 2OJ C91 C91 C 0 1 N N N 6.910 -21.089 13.257 -10.094 1.023 1.533 C91 2OJ 51 2OJ C92 C92 C 0 1 N N N 8.155 -21.919 13.114 -11.548 1.417 1.469 C92 2OJ 52 2OJ O93 O93 O 0 1 N N N 6.618 -20.549 14.311 -9.491 1.108 2.577 O93 2OJ 53 2OJ C39 C39 C 0 1 N N R 6.645 -19.722 10.031 -7.196 1.440 0.277 C39 2OJ 54 2OJ C40 C40 C 0 1 N N N 6.901 -18.406 10.749 -7.488 2.532 1.308 C40 2OJ 55 2OJ O41 O41 O 0 1 N N N 7.823 -17.662 9.959 -6.747 3.732 0.965 O41 2OJ 56 2OJ C94 C94 C 0 1 N N N 7.346 -16.875 8.836 -6.894 4.792 1.776 C94 2OJ 57 2OJ O96 O96 O 0 1 N N N 8.125 -16.645 7.923 -7.618 4.719 2.740 O96 2OJ 58 2OJ C95 C95 C 0 1 N N N 5.931 -16.376 8.861 -6.155 6.073 1.484 C95 2OJ 59 2OJ H1 H1 H 0 1 N N N 17.150 -9.048 10.528 13.096 -0.061 1.148 H1 2OJ 60 2OJ H2 H2 H 0 1 N N N 16.988 -10.988 12.219 11.950 1.984 0.167 H2 2OJ 61 2OJ H3 H3 H 0 1 N N N 15.563 -12.742 13.453 7.143 1.138 -0.026 H3 2OJ 62 2OJ H4 H4 H 0 1 N N N 14.413 -14.096 16.915 5.775 4.508 -0.550 H4 2OJ 63 2OJ H5 H5 H 0 1 N N N 15.498 -14.529 15.551 6.023 3.988 -2.235 H5 2OJ 64 2OJ H6 H6 H 0 1 N N N 15.285 -16.565 15.580 4.157 4.900 -1.787 H6 2OJ 65 2OJ H7 H7 H 0 1 N N N 15.493 -18.627 14.224 1.770 5.427 -2.055 H7 2OJ 66 2OJ H8 H8 H 0 1 N N N 13.940 -19.037 12.346 0.065 3.723 -1.566 H8 2OJ 67 2OJ H9 H9 H 0 1 N N N 12.125 -14.151 13.162 4.004 0.542 0.139 H9 2OJ 68 2OJ H10 H10 H 0 1 N N N 10.274 -13.546 12.002 3.973 -1.823 -0.063 H10 2OJ 69 2OJ H11 H11 H 0 1 N N N 8.290 -13.205 12.919 1.564 -2.818 -1.655 H11 2OJ 70 2OJ H12 H12 H 0 1 N N N 8.247 -14.887 13.548 3.233 -2.672 -2.258 H12 2OJ 71 2OJ H13 H13 H 0 1 N N N 6.284 -14.222 12.115 2.720 -5.006 -1.573 H13 2OJ 72 2OJ H14 H14 H 0 1 N N N 7.166 -15.691 11.572 3.998 -4.298 -0.556 H14 2OJ 73 2OJ H16 H16 H 0 1 N N N 7.610 -11.940 10.853 3.358 -6.035 1.112 H16 2OJ 74 2OJ H17 H17 H 0 1 N N N 5.526 -12.800 11.897 1.582 -7.115 2.464 H17 2OJ 75 2OJ H18 H18 H 0 1 N N N 5.188 -11.434 10.780 1.746 -5.393 2.884 H18 2OJ 76 2OJ H19 H19 H 0 1 N N N 4.846 -13.121 10.266 0.399 -5.934 1.854 H19 2OJ 77 2OJ H20 H20 H 0 1 N N N 6.563 -11.105 8.766 2.503 -6.702 -1.119 H20 2OJ 78 2OJ H21 H21 H 0 1 N N N 7.932 -12.212 8.409 2.024 -7.879 0.127 H21 2OJ 79 2OJ H22 H22 H 0 1 N N N 6.240 -12.795 8.251 0.841 -6.698 -0.483 H22 2OJ 80 2OJ H23 H23 H 0 1 N N N 8.770 -14.473 8.803 1.830 -3.754 2.318 H23 2OJ 81 2OJ H24 H24 H 0 1 N N N 9.277 -13.123 9.874 3.485 -3.577 1.687 H24 2OJ 82 2OJ H25 H25 H 0 1 N N N 9.144 -16.069 10.709 2.324 -1.392 1.722 H25 2OJ 83 2OJ H26 H26 H 0 1 N N N 10.638 -15.196 10.224 1.025 -2.060 0.703 H26 2OJ 84 2OJ H27 H27 H 0 1 N N N 12.642 -19.346 11.198 -1.047 2.507 -0.275 H27 2OJ 85 2OJ H28 H28 H 0 1 N N N 12.433 -18.297 9.756 -0.981 1.954 -1.966 H28 2OJ 86 2OJ H29 H29 H 0 1 N N N 9.915 -18.182 10.664 -1.495 -0.358 -1.231 H29 2OJ 87 2OJ H30 H30 H 0 1 N N N 10.371 -19.748 11.418 -1.561 0.195 0.460 H30 2OJ 88 2OJ H31 H31 H 0 1 N N N 11.229 -20.078 8.802 -3.418 1.734 -0.117 H31 2OJ 89 2OJ H32 H32 H 0 1 N N N 9.734 -19.101 8.605 -3.351 1.182 -1.807 H32 2OJ 90 2OJ H33 H33 H 0 1 N N N 8.646 -21.117 7.708 -5.627 0.424 -1.599 H33 2OJ 91 2OJ H34 H34 H 0 1 N N N 8.149 -23.018 9.654 -6.007 -1.591 0.663 H34 2OJ 92 2OJ H35 H35 H 0 1 N N N 9.349 -24.896 6.066 -4.141 -3.628 -2.947 H35 2OJ 93 2OJ H36 H36 H 0 1 N N N 9.071 -25.022 7.836 -3.612 -4.664 -1.600 H36 2OJ 94 2OJ H37 H37 H 0 1 N N N 7.758 -25.451 6.687 -5.285 -4.769 -2.201 H37 2OJ 95 2OJ H38 H38 H 0 1 N N N 5.652 -21.369 9.159 -7.966 -0.561 -1.442 H38 2OJ 96 2OJ H39 H39 H 0 1 N N N 2.340 -21.566 9.845 -9.843 -4.226 0.171 H39 2OJ 97 2OJ H40 H40 H 0 1 N N N 3.316 -21.391 11.342 -10.541 -4.105 -1.462 H40 2OJ 98 2OJ H41 H41 H 0 1 N N N 3.898 -20.674 9.802 -9.033 -5.015 -1.204 H41 2OJ 99 2OJ H42 H42 H 0 1 N N N 7.824 -21.154 11.110 -7.882 -0.135 1.581 H42 2OJ 100 2OJ H43 H43 H 0 1 N N N 8.697 -21.936 14.071 -11.918 1.274 0.454 H43 2OJ 101 2OJ H44 H44 H 0 1 N N N 7.880 -22.946 12.830 -12.123 0.797 2.156 H44 2OJ 102 2OJ H45 H45 H 0 1 N N N 8.799 -21.483 12.336 -11.653 2.465 1.749 H45 2OJ 103 2OJ H46 H46 H 0 1 N N N 5.610 -19.687 9.661 -7.415 1.815 -0.722 H46 2OJ 104 2OJ H47 H47 H 0 1 N N N 7.328 -18.598 11.744 -8.556 2.753 1.311 H47 2OJ 105 2OJ H48 H48 H 0 1 N N N 5.960 -17.846 10.855 -7.186 2.188 2.297 H48 2OJ 106 2OJ H49 H49 H 0 1 N N N 5.731 -15.792 7.950 -5.556 5.949 0.581 H49 2OJ 107 2OJ H50 H50 H 0 1 N N N 5.241 -17.232 8.907 -6.872 6.880 1.336 H50 2OJ 108 2OJ H51 H51 H 0 1 N N N 5.783 -15.738 9.745 -5.503 6.315 2.322 H51 2OJ 109 # 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 2OJ O86 C85 DOUB N N 1 2OJ C87 C85 SING N N 2 2OJ C85 O47 SING N N 3 2OJ O47 C46 SING N N 4 2OJ O96 C94 DOUB N N 5 2OJ C37 O38 SING N N 6 2OJ C37 C46 SING N N 7 2OJ C37 O36 SING N N 8 2OJ C28 C26 SING N N 9 2OJ C94 C95 SING N N 10 2OJ C94 O41 SING N N 11 2OJ O38 C39 SING N N 12 2OJ C46 C44 SING N N 13 2OJ C35 O36 SING N N 14 2OJ C35 C34 SING N N 15 2OJ O90 C88 DOUB N N 16 2OJ C29 N25 SING N N 17 2OJ C29 C30 SING N N 18 2OJ C44 O45 SING N N 19 2OJ C44 C42 SING N N 20 2OJ C88 C89 SING N N 21 2OJ C88 O45 SING N N 22 2OJ O41 C40 SING N N 23 2OJ C39 C40 SING N N 24 2OJ C39 C42 SING N N 25 2OJ C26 N25 SING N N 26 2OJ C26 C27 SING N N 27 2OJ N25 C24 SING N N 28 2OJ C34 C33 SING N N 29 2OJ CL1 C2 SING N N 30 2OJ C30 C22 SING N N 31 2OJ C33 O32 SING N N 32 2OJ C42 O42 SING N N 33 2OJ C4 C2 DOUB Y N 34 2OJ C4 C5 SING Y N 35 2OJ O32 C18 SING N N 36 2OJ C2 S3 SING Y N 37 2OJ C24 C23 SING N N 38 2OJ C22 C23 SING N N 39 2OJ C22 C21 SING N N 40 2OJ O42 C91 SING N N 41 2OJ C5 C6 DOUB Y N 42 2OJ C18 C17 DOUB Y N 43 2OJ C18 C19 SING Y N 44 2OJ S3 C6 SING Y N 45 2OJ C17 C16 SING Y N 46 2OJ C21 N20 SING N N 47 2OJ C21 O31 DOUB N N 48 2OJ C92 C91 SING N N 49 2OJ C6 C7 SING N N 50 2OJ N20 C19 SING N N 51 2OJ C91 O93 DOUB N N 52 2OJ C19 C14 DOUB Y N 53 2OJ C16 C15 DOUB Y N 54 2OJ C10 C7 DOUB Y N 55 2OJ C10 C11 SING Y N 56 2OJ C7 O8 SING Y N 57 2OJ C14 C15 SING Y N 58 2OJ C14 O13 SING N N 59 2OJ O13 C12 SING N N 60 2OJ O8 N9 SING Y N 61 2OJ C11 C12 SING N N 62 2OJ C11 N9 DOUB Y N 63 2OJ C4 H1 SING N N 64 2OJ C5 H2 SING N N 65 2OJ C10 H3 SING N N 66 2OJ C12 H4 SING N N 67 2OJ C12 H5 SING N N 68 2OJ C15 H6 SING N N 69 2OJ C16 H7 SING N N 70 2OJ C17 H8 SING N N 71 2OJ N20 H9 SING N N 72 2OJ C22 H10 SING N N 73 2OJ C23 H11 SING N N 74 2OJ C23 H12 SING N N 75 2OJ C24 H13 SING N N 76 2OJ C24 H14 SING N N 77 2OJ C26 H16 SING N N 78 2OJ C27 H17 SING N N 79 2OJ C27 H18 SING N N 80 2OJ C27 H19 SING N N 81 2OJ C28 H20 SING N N 82 2OJ C28 H21 SING N N 83 2OJ C28 H22 SING N N 84 2OJ C29 H23 SING N N 85 2OJ C29 H24 SING N N 86 2OJ C30 H25 SING N N 87 2OJ C30 H26 SING N N 88 2OJ C33 H27 SING N N 89 2OJ C33 H28 SING N N 90 2OJ C34 H29 SING N N 91 2OJ C34 H30 SING N N 92 2OJ C35 H31 SING N N 93 2OJ C35 H32 SING N N 94 2OJ C37 H33 SING N N 95 2OJ C46 H34 SING N N 96 2OJ C87 H35 SING N N 97 2OJ C87 H36 SING N N 98 2OJ C87 H37 SING N N 99 2OJ C44 H38 SING N N 100 2OJ C89 H39 SING N N 101 2OJ C89 H40 SING N N 102 2OJ C89 H41 SING N N 103 2OJ C42 H42 SING N N 104 2OJ C92 H43 SING N N 105 2OJ C92 H44 SING N N 106 2OJ C92 H45 SING N N 107 2OJ C39 H46 SING N N 108 2OJ C40 H47 SING N N 109 2OJ C40 H48 SING N N 110 2OJ C95 H49 SING N N 111 2OJ C95 H50 SING N N 112 2OJ C95 H51 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 2OJ SMILES ACDLabs 12.01 "Clc5sc(c1onc(c1)COc4cccc(OCCCOC2OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)c4NC(=O)C3CCN(C(C)C)CC3)cc5" 2OJ InChI InChI 1.03 ;InChI=1S/C40H50ClN3O14S/c1-22(2)44-15-13-27(14-16-44)39(49)42-35-29(9-7-10-30(35)53-20-28-19-31(58-43-28)33-11-12-34(41)59-33)50-17-8-18-51-40-38(56-26(6)48)37(55-25(5)47)36(54-24(4)46)32(57-40)21-52-23(3)45/h7,9-12,19,22,27,32,36-38,40H,8,13-18,20-21H2,1-6H3,(H,42,49)/t32-,36-,37+,38-,40-/m1/s1 ; 2OJ InChIKey InChI 1.03 GNVQZTIXGHEXLF-NIURAOKHSA-N 2OJ SMILES_CANONICAL CACTVS 3.385 "CC(C)N1CCC(CC1)C(=O)Nc2c(OCCCO[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cccc2OCc4cc(on4)c5sc(Cl)cc5" 2OJ SMILES CACTVS 3.385 "CC(C)N1CCC(CC1)C(=O)Nc2c(OCCCO[CH]3O[CH](COC(C)=O)[CH](OC(C)=O)[CH](OC(C)=O)[CH]3OC(C)=O)cccc2OCc4cc(on4)c5sc(Cl)cc5" 2OJ SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C" 2OJ SMILES "OpenEye OEToolkits" 1.7.6 "CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCOC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C" # 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 2OJ "SYSTEMATIC NAME" ACDLabs 12.01 "N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide" 2OJ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[3-[3-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]-2-[(1-propan-2-ylpiperidin-4-yl)carbonylamino]phenoxy]propoxy]oxan-2-yl]methyl ethanoate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 2OJ "Create component" 2013-12-16 RCSB 2OJ "Initial release" 2014-01-15 RCSB #