data_1F2
# 
_chem_comp.id                                    1F2 
_chem_comp.name                                  
;(3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate
;
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C41 H64 N4 O11" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2013-01-10 
_chem_comp.pdbx_modified_date                    2013-03-01 
_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                        788.967 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     1F2 
_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        4IO9 
_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 
1F2 O1  O1  O 0 1 N N N 47.301 125.691 123.736 0.083  -0.056 -0.500 O1  1F2 1   
1F2 C2  C2  C 0 1 N N R 40.336 127.183 122.642 -3.103 -1.995 1.714  C2  1F2 2   
1F2 C3  C3  C 0 1 N N R 41.621 126.881 120.304 -0.632 -2.252 2.302  C3  1F2 3   
1F2 C4  C4  C 0 1 N N N 41.004 127.717 121.375 -1.750 -2.092 1.313  C4  1F2 4   
1F2 C5  C5  C 0 1 N N R 41.049 127.753 123.828 -4.101 -1.807 0.502  C5  1F2 5   
1F2 C6  C6  C 0 1 N N S 40.894 126.953 125.171 -3.874 -0.479 -0.267 C6  1F2 6   
1F2 C7  C7  C 0 1 N N R 42.085 127.061 126.040 -3.388 -0.742 -1.656 C7  1F2 7   
1F2 C8  C8  C 0 1 N N N 42.859 126.120 120.726 0.694  -1.793 1.764  C8  1F2 8   
1F2 C9  C9  C 0 1 N N R 45.198 126.006 121.437 2.104  -2.127 -0.323 C9  1F2 9   
1F2 C10 C10 C 0 1 N N R 44.137 126.966 121.135 1.385  -2.808 0.777  C10 1F2 10  
1F2 O11 O11 O 0 1 N N N 43.236 126.280 125.447 -2.106 -0.061 -1.874 O11 1F2 11  
1F2 C12 C12 C 0 1 N N N 44.430 126.661 125.546 -1.363 -0.444 -2.889 C12 1F2 12  
1F2 C13 C13 C 0 1 N N R 45.504 125.753 125.186 0.077  -0.012 -2.896 C13 1F2 13  
1F2 C14 C14 C 0 1 N N S 45.933 126.123 123.783 0.869  -0.373 -1.669 C14 1F2 14  
1F2 C15 C15 C 0 1 N N S 45.185 125.349 122.773 1.359  -1.729 -1.665 C15 1F2 15  
1F2 O16 O16 O 0 1 N N N 41.025 128.950 121.287 -1.448 -2.013 0.120  O16 1F2 16  
1F2 C17 C17 C 0 1 N N N 38.801 127.621 122.611 -3.537 -3.297 2.426  C17 1F2 17  
1F2 O18 O18 O 0 1 N N N 39.809 127.660 125.772 -5.263 0.037  -0.308 O18 1F2 18  
1F2 O19 O19 O 0 1 N N N 43.836 127.843 122.218 0.411  -3.738 0.392  O19 1F2 19  
1F2 C20 C20 C 0 1 N N N 40.594 125.894 119.865 -0.925 -1.495 3.591  C20 1F2 20  
1F2 O21 O21 O 0 1 N N N 45.154 124.970 120.379 2.674  -0.872 0.183  O21 1F2 21  
1F2 C22 C22 C 0 1 N N N 45.230 123.859 122.866 0.409  -2.822 -2.044 C22 1F2 22  
1F2 C23 C23 C 0 1 N N N 44.579 127.798 119.916 2.440  -3.540 1.599  C23 1F2 23  
1F2 C24 C24 C 0 1 N N N 41.735 126.424 127.398 -4.430 -0.086 -2.708 C24 1F2 24  
1F2 C25 C25 C 0 1 N N N 40.459 125.475 124.852 -3.010 0.531  0.489  C25 1F2 25  
1F2 C26 C26 C 0 1 N N N 42.894 126.600 128.372 -4.445 1.434  -2.530 C26 1F2 26  
1F2 O27 O27 O 0 1 N N N 44.742 127.800 125.911 -1.786 -1.213 -3.733 O27 1F2 27  
1F2 C28 C28 C 0 1 N N N 46.698 125.893 126.093 0.765  -0.470 -4.164 C28 1F2 28  
1F2 N29 N29 N 0 1 N N N 40.623 129.156 124.227 -5.494 -1.845 0.877  N29 1F2 29  
1F2 C30 C30 C 0 1 N N N 39.885 128.949 125.468 -6.130 -0.707 0.340  C30 1F2 30  
1F2 O31 O31 O 0 1 N N N 39.396 129.837 126.124 -7.320 -0.564 0.529  O31 1F2 31  
1F2 C32 C32 C 0 1 N N S 46.453 124.659 119.889 3.953  -0.551 -0.367 C32 1F2 32  
1F2 O33 O33 O 0 1 N N N 46.790 125.664 118.957 4.914  -1.515 0.067  O33 1F2 33  
1F2 C34 C34 C 0 1 N N R 48.048 125.473 118.345 6.229  -1.302 -0.449 C34 1F2 34  
1F2 C35 C35 C 0 1 N N N 48.002 124.209 117.485 6.746  0.060  0.022  C35 1F2 35  
1F2 C36 C36 C 0 1 N N S 47.622 122.976 118.321 5.776  1.153  -0.438 C36 1F2 36  
1F2 C37 C37 C 0 1 N N R 46.363 123.314 119.157 4.378  0.841  0.107  C37 1F2 37  
1F2 N38 N38 N 0 1 N N N 47.371 121.788 117.438 6.224  2.454  0.074  N38 1F2 38  
1F2 C39 C39 C 0 1 N N N 48.536 121.334 116.662 6.409  2.412  1.531  C39 1F2 39  
1F2 C40 C40 C 0 1 N N N 46.869 120.576 118.119 7.454  2.891  -0.600 C40 1F2 40  
1F2 O41 O41 O 0 1 N N N 46.044 122.313 120.138 3.450  1.814  -0.375 O41 1F2 41  
1F2 C42 C42 C 0 1 N N N 48.215 126.737 117.508 7.161  -2.405 0.057  C42 1F2 42  
1F2 C43 C43 C 0 1 N N N 44.789 128.847 122.568 0.932  -4.866 -0.313 C43 1F2 43  
1F2 C44 C44 C 0 1 N N N 48.215 126.445 123.092 -0.004 1.242  -0.156 C44 1F2 44  
1F2 N45 N45 N 0 1 N N N 49.527 126.132 123.185 -0.352 1.584  1.101  N45 1F2 45  
1F2 O46 O46 O 0 1 N N N 47.868 127.390 122.404 0.230  2.106  -0.978 O46 1F2 46  
1F2 C47 C47 C 0 1 N N R 50.119 125.024 123.955 -0.277 2.937  1.673  C47 1F2 47  
1F2 C48 C48 C 0 1 N N N 51.635 125.113 123.799 -0.751 2.841  3.138  C48 1F2 48  
1F2 C49 C49 C 0 1 N N N 51.734 125.836 122.434 -0.529 1.344  3.478  C49 1F2 49  
1F2 C50 C50 C 0 1 N N N 50.607 126.888 122.553 -0.876 0.665  2.127  C50 1F2 50  
1F2 C51 C51 C 0 1 Y N N 49.622 123.662 123.509 -1.174 3.870  0.901  C51 1F2 51  
1F2 C52 C52 C 0 1 Y N N 49.617 123.257 122.175 -0.649 4.989  0.272  C52 1F2 52  
1F2 C53 C53 C 0 1 Y N N 49.120 121.991 121.866 -1.512 5.819  -0.427 C53 1F2 53  
1F2 C54 C54 C 0 1 Y N N 48.659 121.167 122.879 -2.857 5.506  -0.474 C54 1F2 54  
1F2 N55 N55 N 0 1 Y N N 48.665 121.581 124.137 -3.322 4.433  0.137  N55 1F2 55  
1F2 C56 C56 C 0 1 Y N N 49.125 122.780 124.469 -2.530 3.618  0.805  C56 1F2 56  
1F2 H1  H1  H 0 1 N N N 40.392 126.085 122.657 -3.263 -1.176 2.414  H1  1F2 57  
1F2 H2  H2  H 0 1 N N N 41.880 127.528 119.453 -0.523 -3.319 2.570  H2  1F2 58  
1F2 H3  H3  H 0 1 N N N 42.123 127.785 123.594 -3.887 -2.696 -0.183 H3  1F2 59  
1F2 H4  H4  H 0 1 N N N 42.371 128.114 126.182 -3.376 -1.759 -1.844 H4  1F2 60  
1F2 H5  H5  H 0 1 N N N 42.585 125.499 121.591 0.580  -0.846 1.307  H5  1F2 61  
1F2 H6  H6  H 0 1 N N N 43.149 125.471 119.886 1.404  -1.651 2.555  H6  1F2 62  
1F2 H7  H7  H 0 1 N N N 46.159 126.532 121.341 2.937  -2.750 -0.652 H7  1F2 63  
1F2 H8  H8  H 0 1 N N N 45.148 124.712 125.200 0.030  1.188  -2.953 H8  1F2 64  
1F2 H9  H9  H 0 1 N N N 45.835 127.206 123.615 1.710  0.358  -1.611 H9  1F2 65  
1F2 H10 H10 H 0 1 N N N 44.149 125.543 123.088 2.164  -1.848 -2.386 H10 1F2 66  
1F2 H11 H11 H 0 1 N N N 38.295 127.249 123.514 -3.470 -4.132 1.728  H11 1F2 67  
1F2 H12 H12 H 0 1 N N N 38.734 128.718 122.579 -2.881 -3.482 3.277  H12 1F2 68  
1F2 H13 H13 H 0 1 N N N 38.317 127.198 121.718 -4.565 -3.196 2.774  H13 1F2 69  
1F2 H14 H14 H 0 1 N N N 39.683 126.426 119.553 -1.429 -0.558 3.355  H14 1F2 70  
1F2 H15 H15 H 0 1 N N N 40.985 125.310 119.019 -1.566 -2.102 4.230  H15 1F2 71  
1F2 H16 H16 H 0 1 N N N 40.356 125.217 120.699 0.010  -1.284 4.109  H16 1F2 72  
1F2 H17 H17 H 0 1 N N N 45.213 123.556 123.923 -0.308 -2.976 -1.238 H17 1F2 73  
1F2 H18 H18 H 0 1 N N N 44.358 123.433 122.349 -0.122 -2.542 -2.954 H18 1F2 74  
1F2 H19 H19 H 0 1 N N N 46.153 123.490 122.394 0.966  -3.743 -2.217 H19 1F2 75  
1F2 H20 H20 H 0 1 N N N 45.466 128.393 120.180 1.958  -4.061 2.426  H20 1F2 76  
1F2 H21 H21 H 0 1 N N N 44.824 127.124 119.082 2.956  -4.262 0.966  H21 1F2 77  
1F2 H22 H22 H 0 1 N N N 43.762 128.471 119.616 3.158  -2.821 1.992  H22 1F2 78  
1F2 H23 H23 H 0 1 N N N 40.838 126.911 127.808 -4.122 -0.330 -3.724 H23 1F2 79  
1F2 H24 H24 H 0 1 N N N 41.538 125.351 127.257 -5.429 -0.483 -2.525 H24 1F2 80  
1F2 H25 H25 H 0 1 N N N 40.350 124.913 125.792 -2.111 0.037  0.858  H25 1F2 81  
1F2 H26 H26 H 0 1 N N N 39.498 125.483 124.316 -2.728 1.343  -0.182 H26 1F2 82  
1F2 H27 H27 H 0 1 N N N 41.225 124.995 124.225 -3.574 0.935  1.330  H27 1F2 83  
1F2 H28 H28 H 0 1 N N N 42.635 126.142 129.338 -5.210 1.867  -3.175 H28 1F2 84  
1F2 H29 H29 H 0 1 N N N 43.792 126.113 127.965 -4.665 1.676  -1.491 H29 1F2 85  
1F2 H30 H30 H 0 1 N N N 43.092 127.672 128.516 -3.470 1.840  -2.800 H30 1F2 86  
1F2 H31 H31 H 0 1 N N N 46.411 125.629 127.121 0.262  -0.035 -5.027 H31 1F2 87  
1F2 H32 H32 H 0 1 N N N 47.498 125.220 125.752 1.806  -0.147 -4.149 H32 1F2 88  
1F2 H33 H33 H 0 1 N N N 47.057 126.932 126.068 0.723  -1.557 -4.227 H33 1F2 89  
1F2 H34 H34 H 0 1 N N N 40.805 130.017 123.752 -5.979 -2.487 1.440  H34 1F2 90  
1F2 H35 H35 H 0 1 N N N 47.189 124.595 120.704 3.893  -0.562 -1.456 H35 1F2 91  
1F2 H36 H36 H 0 1 N N N 48.858 125.398 119.086 6.200  -1.322 -1.539 H36 1F2 92  
1F2 H37 H37 H 0 1 N N N 48.993 124.045 117.036 6.814  0.067  1.110  H37 1F2 93  
1F2 H38 H38 H 0 1 N N N 47.256 124.345 116.688 7.731  0.244  -0.407 H38 1F2 94  
1F2 H39 H39 H 0 1 N N N 48.449 122.747 119.009 5.745  1.178  -1.527 H39 1F2 95  
1F2 H40 H40 H 0 1 N N N 45.521 123.386 118.452 4.398  0.864  1.196  H40 1F2 96  
1F2 H42 H42 H 0 1 N N N 48.971 122.187 116.120 6.672  3.406  1.893  H42 1F2 97  
1F2 H43 H43 H 0 1 N N N 49.288 120.910 117.344 5.483  2.086  2.006  H43 1F2 98  
1F2 H44 H44 H 0 1 N N N 48.220 120.565 115.942 7.208  1.713  1.775  H44 1F2 99  
1F2 H45 H45 H 0 1 N N N 45.989 120.834 118.726 7.268  2.981  -1.671 H45 1F2 100 
1F2 H46 H46 H 0 1 N N N 46.588 119.823 117.368 7.763  3.857  -0.203 H46 1F2 101 
1F2 H47 H47 H 0 1 N N N 47.657 120.168 118.770 8.242  2.158  -0.428 H47 1F2 102 
1F2 H48 H48 H 0 1 N N N 45.266 122.575 120.617 2.531  1.638  -0.130 H48 1F2 103 
1F2 H49 H49 H 0 1 N N N 48.242 127.615 118.170 6.792  -3.374 -0.278 H49 1F2 104 
1F2 H50 H50 H 0 1 N N N 49.154 126.678 116.938 8.164  -2.242 -0.337 H50 1F2 105 
1F2 H51 H51 H 0 1 N N N 47.369 126.830 116.811 7.191  -2.384 1.146  H51 1F2 106 
1F2 H52 H52 H 0 1 N N N 44.408 129.435 123.416 1.600  -4.524 -1.104 H52 1F2 107 
1F2 H53 H53 H 0 1 N N N 45.739 128.369 122.850 1.484  -5.504 0.378  H53 1F2 108 
1F2 H54 H54 H 0 1 N N N 44.955 129.511 121.707 0.110  -5.432 -0.752 H54 1F2 109 
1F2 H55 H55 H 0 1 N N N 49.872 125.154 125.019 0.751  3.298  1.638  H55 1F2 110 
1F2 H56 H56 H 0 1 N N N 52.099 124.116 123.766 -0.143 3.477  3.782  H56 1F2 111 
1F2 H57 H57 H 0 1 N N N 52.093 125.704 124.606 -1.805 3.106  3.221  H57 1F2 112 
1F2 H58 H58 H 0 1 N N N 51.550 125.144 121.599 0.507  1.151  3.757  H58 1F2 113 
1F2 H59 H59 H 0 1 N N N 52.716 126.314 122.304 -1.210 1.020  4.265  H59 1F2 114 
1F2 H60 H60 H 0 1 N N N 50.919 127.735 123.182 -1.956 0.552  2.027  H60 1F2 115 
1F2 H61 H61 H 0 1 N N N 50.305 127.259 121.563 -0.383 -0.304 2.052  H61 1F2 116 
1F2 H62 H62 H 0 1 N N N 49.989 123.909 121.399 0.407  5.209  0.326  H62 1F2 117 
1F2 H63 H63 H 0 1 N N N 49.095 121.654 120.840 -1.137 6.700  -0.928 H63 1F2 118 
1F2 H64 H64 H 0 1 N N N 48.292 120.179 122.641 -3.536 6.148  -1.016 H64 1F2 119 
1F2 H65 H65 H 0 1 N N N 49.115 123.080 125.506 -2.946 2.746  1.288  H65 1F2 120 
# 
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 
1F2 C39 N38 SING N N 1   
1F2 N38 C40 SING N N 2   
1F2 N38 C36 SING N N 3   
1F2 C35 C36 SING N N 4   
1F2 C35 C34 SING N N 5   
1F2 C42 C34 SING N N 6   
1F2 C36 C37 SING N N 7   
1F2 C34 O33 SING N N 8   
1F2 O33 C32 SING N N 9   
1F2 C37 C32 SING N N 10  
1F2 C37 O41 SING N N 11  
1F2 C20 C3  SING N N 12  
1F2 C32 O21 SING N N 13  
1F2 C23 C10 SING N N 14  
1F2 C3  C8  SING N N 15  
1F2 C3  C4  SING N N 16  
1F2 O21 C9  SING N N 17  
1F2 C8  C10 SING N N 18  
1F2 C10 C9  SING N N 19  
1F2 C10 O19 SING N N 20  
1F2 O16 C4  DOUB N N 21  
1F2 C4  C2  SING N N 22  
1F2 C9  C15 SING N N 23  
1F2 C53 C52 DOUB Y N 24  
1F2 C53 C54 SING Y N 25  
1F2 C52 C51 SING Y N 26  
1F2 O19 C43 SING N N 27  
1F2 O46 C44 DOUB N N 28  
1F2 C49 C50 SING N N 29  
1F2 C49 C48 SING N N 30  
1F2 C50 N45 SING N N 31  
1F2 C17 C2  SING N N 32  
1F2 C2  C5  SING N N 33  
1F2 C15 C22 SING N N 34  
1F2 C15 C14 SING N N 35  
1F2 C54 N55 DOUB Y N 36  
1F2 C44 N45 SING N N 37  
1F2 C44 O1  SING N N 38  
1F2 N45 C47 SING N N 39  
1F2 C51 C47 SING N N 40  
1F2 C51 C56 DOUB Y N 41  
1F2 O1  C14 SING N N 42  
1F2 C14 C13 SING N N 43  
1F2 C48 C47 SING N N 44  
1F2 C5  N29 SING N N 45  
1F2 C5  C6  SING N N 46  
1F2 N55 C56 SING Y N 47  
1F2 N29 C30 SING N N 48  
1F2 C25 C6  SING N N 49  
1F2 C6  O18 SING N N 50  
1F2 C6  C7  SING N N 51  
1F2 C13 C12 SING N N 52  
1F2 C13 C28 SING N N 53  
1F2 O11 C12 SING N N 54  
1F2 O11 C7  SING N N 55  
1F2 C30 O18 SING N N 56  
1F2 C30 O31 DOUB N N 57  
1F2 C12 O27 DOUB N N 58  
1F2 C7  C24 SING N N 59  
1F2 C24 C26 SING N N 60  
1F2 C2  H1  SING N N 61  
1F2 C3  H2  SING N N 62  
1F2 C5  H3  SING N N 63  
1F2 C7  H4  SING N N 64  
1F2 C8  H5  SING N N 65  
1F2 C8  H6  SING N N 66  
1F2 C9  H7  SING N N 67  
1F2 C13 H8  SING N N 68  
1F2 C14 H9  SING N N 69  
1F2 C15 H10 SING N N 70  
1F2 C17 H11 SING N N 71  
1F2 C17 H12 SING N N 72  
1F2 C17 H13 SING N N 73  
1F2 C20 H14 SING N N 74  
1F2 C20 H15 SING N N 75  
1F2 C20 H16 SING N N 76  
1F2 C22 H17 SING N N 77  
1F2 C22 H18 SING N N 78  
1F2 C22 H19 SING N N 79  
1F2 C23 H20 SING N N 80  
1F2 C23 H21 SING N N 81  
1F2 C23 H22 SING N N 82  
1F2 C24 H23 SING N N 83  
1F2 C24 H24 SING N N 84  
1F2 C25 H25 SING N N 85  
1F2 C25 H26 SING N N 86  
1F2 C25 H27 SING N N 87  
1F2 C26 H28 SING N N 88  
1F2 C26 H29 SING N N 89  
1F2 C26 H30 SING N N 90  
1F2 C28 H31 SING N N 91  
1F2 C28 H32 SING N N 92  
1F2 C28 H33 SING N N 93  
1F2 N29 H34 SING N N 94  
1F2 C32 H35 SING N N 95  
1F2 C34 H36 SING N N 96  
1F2 C35 H37 SING N N 97  
1F2 C35 H38 SING N N 98  
1F2 C36 H39 SING N N 99  
1F2 C37 H40 SING N N 100 
1F2 C39 H42 SING N N 101 
1F2 C39 H43 SING N N 102 
1F2 C39 H44 SING N N 103 
1F2 C40 H45 SING N N 104 
1F2 C40 H46 SING N N 105 
1F2 C40 H47 SING N N 106 
1F2 O41 H48 SING N N 107 
1F2 C42 H49 SING N N 108 
1F2 C42 H50 SING N N 109 
1F2 C42 H51 SING N N 110 
1F2 C43 H52 SING N N 111 
1F2 C43 H53 SING N N 112 
1F2 C43 H54 SING N N 113 
1F2 C47 H55 SING N N 114 
1F2 C48 H56 SING N N 115 
1F2 C48 H57 SING N N 116 
1F2 C49 H58 SING N N 117 
1F2 C49 H59 SING N N 118 
1F2 C50 H60 SING N N 119 
1F2 C50 H61 SING N N 120 
1F2 C52 H62 SING N N 121 
1F2 C53 H63 SING N N 122 
1F2 C54 H64 SING N N 123 
1F2 C56 H65 SING N N 124 
# 
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 
1F2 SMILES           ACDLabs              12.01 "O=C4OC5(C(OC(=O)C(C(OC(=O)N2C(c1cccnc1)CCC2)C(C(OC3OC(C)CC(N(C)C)C3O)C(OC)(C)CC(C(=O)C(C)C5N4)C)C)C)CC)C" 
1F2 InChI            InChI                1.03  
;InChI=1S/C41H64N4O11/c1-12-30-41(8)34(43-38(49)56-41)24(4)31(46)22(2)20-40(7,51-11)35(55-37-32(47)29(44(9)10)19-23(3)52-37)25(5)33(26(6)36(48)53-30)54-39(50)45-18-14-16-28(45)27-15-13-17-42-21-27/h13,15,17,21-26,28-30,32-35,37,47H,12,14,16,18-20H2,1-11H3,(H,43,49)/t22-,23-,24+,25+,26-,28-,29+,30-,32-,33+,34-,35-,37+,40-,41-/m1/s1
;
1F2 InChIKey         InChI                1.03  QMAYKVIDQIRQBR-XPYOOJRRSA-N 
1F2 SMILES_CANONICAL CACTVS               3.370 "CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCC[C@@H]2c3cccnc3)[C@H](C)[C@@H](O[C@@H]4O[C@H](C)C[C@@H]([C@H]4O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]5NC(=O)O[C@]15C)OC" 
1F2 SMILES           CACTVS               3.370 "CC[CH]1OC(=O)[CH](C)[CH](OC(=O)N2CCC[CH]2c3cccnc3)[CH](C)[CH](O[CH]4O[CH](C)C[CH]([CH]4O)N(C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]5NC(=O)O[C]15C)OC" 
1F2 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CCC[C@@H]3c4cccnc4)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C" 
1F2 SMILES           "OpenEye OEToolkits" 1.7.6 "CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)N3CCCC3c4cccnc4)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)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 
1F2 "SYSTEMATIC NAME" ACDLabs              12.01 
;(3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate
;
1F2 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 
;[(1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-tris(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-9-yl] (2R)-2-pyridin-3-ylpyrrolidine-1-carboxylate
;
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
1F2 "Create component" 2013-01-10 RCSB 
1F2 "Initial release"  2013-03-06 RCSB 
# 
