data_M6B # _chem_comp.id M6B _chem_comp.name ;(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C34 H59 N5 O10" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2015-04-16 _chem_comp.pdbx_modified_date 2015-06-26 _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 697.860 _chem_comp.one_letter_code ? _chem_comp.three_letter_code M6B _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 4Z2I _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # 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 M6B C20 C1 C 0 1 N N N -20.438 -7.132 -31.132 9.847 -3.635 -2.185 C20 M6B 1 M6B N5 N1 N 0 1 N N N -20.951 -6.089 -30.256 10.282 -2.621 -1.221 N5 M6B 2 M6B C19 C2 C 0 1 N N N -20.407 -4.899 -30.110 9.396 -1.730 -0.735 C19 M6B 3 M6B O5 O1 O 0 1 N N N -19.449 -4.545 -30.805 8.236 -1.766 -1.097 O5 M6B 4 M6B N4 N2 N 0 1 N N N -21.018 -4.120 -29.154 9.797 -0.797 0.152 N4 M6B 5 M6B C18 C3 C 0 1 N N N -20.751 -2.840 -28.992 8.916 0.180 0.572 C18 M6B 6 M6B N3 N3 N 0 1 N N N -21.210 -2.244 -27.934 9.330 1.140 1.348 N3 M6B 7 M6B N2 N4 N 0 1 N N N -19.862 -2.245 -29.822 7.602 0.139 0.170 N2 M6B 8 M6B C17 C4 C 0 1 N N N -19.597 -0.793 -29.792 6.640 1.103 0.711 C17 M6B 9 M6B C16 C5 C 0 1 N N N -19.312 -0.260 -31.216 5.260 0.841 0.104 C16 M6B 10 M6B C15 C6 C 0 1 N N N -19.279 1.274 -31.312 4.256 1.848 0.669 C15 M6B 11 M6B N1 N5 N 0 1 N N N -20.598 1.827 -31.057 2.934 1.597 0.089 N1 M6B 12 M6B C14 C7 C 0 1 N N N -21.482 1.990 -32.003 1.886 2.367 0.442 C14 M6B 13 M6B O4 O2 O 0 1 N N N -21.253 1.736 -33.182 2.037 3.269 1.243 O4 M6B 14 M6B O3 O3 O 0 1 N N N -22.822 2.243 -31.550 0.672 2.137 -0.091 O3 M6B 15 M6B C3 C8 C 0 1 N N S -23.689 2.574 -32.624 -0.400 2.996 0.331 C3 M6B 16 M6B C4 C9 C 0 1 N N S -24.913 1.696 -32.497 -1.242 3.332 -0.855 C4 M6B 17 M6B C30 C10 C 0 1 N N N -25.493 1.681 -31.084 -2.125 4.488 -0.666 C30 M6B 18 M6B C2 C11 C 0 1 N N R -23.994 4.092 -32.520 -1.095 2.431 1.542 C2 M6B 19 M6B C29 C12 C 0 1 N N N -22.773 4.945 -32.744 -2.518 2.900 1.889 C29 M6B 20 M6B C1 C13 C 0 1 N N N -24.965 4.515 -33.574 -1.011 0.966 1.635 C1 M6B 21 M6B O1 O4 O 0 1 N N N -24.736 4.475 -34.784 0.014 0.381 1.817 O1 M6B 22 M6B O2 O5 O 0 1 N N N -26.289 4.770 -33.128 -2.155 0.183 1.571 O2 M6B 23 M6B C13 C14 C 0 1 N N R -27.055 5.185 -34.253 -2.071 -1.233 1.878 C13 M6B 24 M6B C27 C15 C 0 1 N N N -27.019 6.740 -34.370 -1.478 -2.002 0.781 C27 M6B 25 M6B C28 C16 C 0 1 N N N -25.716 7.288 -34.996 0.047 -1.956 0.892 C28 M6B 26 M6B C12 C17 C 0 1 N N R -28.350 4.443 -33.944 -3.385 -1.708 2.480 C12 M6B 27 M6B O10 O6 O 0 1 N N N -29.443 5.164 -34.445 -3.853 -0.905 3.466 O10 M6B 28 M6B C34 C18 C 0 1 N N N -28.468 4.275 -32.447 -3.095 -3.080 3.174 C34 M6B 29 M6B C11 C19 C 0 1 N N R -28.288 3.105 -34.690 -4.430 -1.998 1.391 C11 M6B 30 M6B C10 C20 C 0 1 N N S -29.227 1.990 -34.310 -5.001 -0.886 0.610 C10 M6B 31 M6B C33 C21 C 0 1 N N N -30.698 2.358 -34.442 -4.891 0.475 1.287 C33 M6B 32 M6B O9 O7 O 0 1 N N N -28.460 3.389 -36.072 -4.072 -3.080 0.597 O9 M6B 33 M6B C24 C22 C 0 1 N N N -28.034 2.328 -36.899 -4.727 -3.288 -0.682 C24 M6B 34 M6B C25 C23 C 0 1 N N N -26.746 2.768 -37.573 -6.140 -3.699 -0.483 C25 M6B 35 M6B C26 C24 C 0 1 N N N -29.124 2.106 -37.969 -3.964 -4.453 -1.479 C26 M6B 36 M6B O8 O8 O 0 1 N N N -27.791 1.144 -36.075 -4.677 -2.092 -1.470 O8 M6B 37 M6B C9 C25 C 0 1 N N S -28.871 0.798 -35.218 -4.386 -0.855 -0.795 C9 M6B 38 M6B C8 C26 C 0 1 N N R -28.327 -0.431 -34.507 -4.907 0.219 -1.642 C8 M6B 39 M6B C32 C27 C 0 1 N N N -29.479 -1.141 -33.853 -5.939 -0.382 -2.652 C32 M6B 40 M6B C7 C28 C 0 1 N N N -27.151 -0.025 -33.569 -3.785 0.878 -2.441 C7 M6B 41 M6B C6 C29 C 0 1 N N R -25.721 -0.116 -34.131 -3.358 2.185 -1.964 C6 M6B 42 M6B O7 O9 O 0 1 N N N -25.485 0.768 -35.201 -4.219 2.706 -0.972 O7 M6B 43 M6B C31 C30 C 0 1 N N N -25.423 -1.528 -34.640 -3.486 3.215 -3.186 C31 M6B 44 M6B C5 C31 C 0 1 N N R -24.686 0.270 -33.055 -1.934 2.075 -1.522 C5 M6B 45 M6B O6 O10 O 0 1 N N N -24.743 -0.668 -31.988 -1.721 0.908 -0.810 O6 M6B 46 M6B C21 C32 C 0 1 N N N -23.423 -0.825 -31.426 -0.402 0.376 -0.948 C21 M6B 47 M6B C22 C33 C 0 1 N N N -23.030 -2.225 -31.556 -0.477 -0.981 -1.513 C22 M6B 48 M6B C23 C34 C 0 1 N N N -22.645 -3.423 -31.675 -0.536 -2.064 -1.963 C23 M6B 49 M6B H1 H1 H 0 1 N N N -21.082 -8.021 -31.061 9.070 -4.253 -1.737 H1 M6B 50 M6B H2 H2 H 0 1 N N N -20.429 -6.767 -32.170 9.453 -3.144 -3.075 H2 M6B 51 M6B H3 H3 H 0 1 N N N -19.415 -7.396 -30.827 10.696 -4.261 -2.462 H3 M6B 52 M6B H4 H4 H 0 1 N N N -21.776 -6.291 -29.727 11.208 -2.592 -0.933 H4 M6B 53 M6B H5 H5 H 0 1 N N N -21.696 -4.545 -28.554 10.703 -0.813 0.496 H5 M6B 54 M6B H6 H6 H 0 1 N N N -21.733 -2.866 -27.351 10.271 1.210 1.573 H6 M6B 55 M6B H7 H7 H 0 1 N N N -19.366 -2.811 -30.481 7.312 -0.527 -0.472 H7 M6B 56 M6B H8 H8 H 0 1 N N N -18.724 -0.598 -29.152 6.588 0.994 1.794 H8 M6B 57 M6B H9 H9 H 0 1 N N N -20.476 -0.274 -29.381 6.961 2.115 0.462 H9 M6B 58 M6B H10 H10 H 0 1 N N N -20.098 -0.632 -31.889 5.313 0.950 -0.979 H10 M6B 59 M6B H11 H11 H 0 1 N N N -18.336 -0.649 -31.542 4.940 -0.170 0.353 H11 M6B 60 M6B H12 H12 H 0 1 N N N -18.571 1.668 -30.568 4.203 1.739 1.753 H12 M6B 61 M6B H13 H13 H 0 1 N N N -18.952 1.567 -32.321 4.576 2.859 0.421 H13 M6B 62 M6B H14 H14 H 0 1 N N N -20.837 2.092 -30.123 2.814 0.877 -0.550 H14 M6B 63 M6B H15 H15 H 0 1 N N N -23.200 2.377 -33.590 0.045 3.936 0.595 H15 M6B 64 M6B H16 H16 H 0 1 N N N -25.684 2.149 -33.137 -0.492 3.676 -1.569 H16 M6B 65 M6B H17 H17 H 0 1 N N N -25.635 2.714 -30.734 -1.523 5.386 -0.526 H17 M6B 66 M6B H18 H18 H 0 1 N N N -26.462 1.160 -31.091 -2.758 4.608 -1.544 H18 M6B 67 M6B H19 H19 H 0 1 N N N -24.800 1.158 -30.409 -2.749 4.328 0.213 H19 M6B 68 M6B H20 H20 H 0 1 N N N -24.412 4.304 -31.525 -0.440 2.731 2.464 H20 M6B 69 M6B H21 H21 H 0 1 N N N -22.005 4.690 -31.999 -3.189 2.667 1.062 H21 M6B 70 M6B H22 H22 H 0 1 N N N -22.379 4.762 -33.754 -2.859 2.390 2.789 H22 M6B 71 M6B H23 H23 H 0 1 N N N -23.044 6.006 -32.642 -2.514 3.977 2.061 H23 M6B 72 M6B H24 H24 H 0 1 N N N -26.624 4.764 -35.173 -1.296 -1.257 2.751 H24 M6B 73 M6B H25 H25 H 0 1 N N N -27.125 7.166 -33.362 -1.815 -3.037 0.839 H25 M6B 74 M6B H26 H26 H 0 1 N N N -27.866 7.061 -34.995 -1.786 -1.572 -0.172 H26 M6B 75 M6B H27 H27 H 0 1 N N N -25.765 8.386 -35.045 0.479 -2.778 0.320 H27 M6B 76 M6B H28 H28 H 0 1 N N N -24.857 6.987 -34.378 0.412 -1.008 0.497 H28 M6B 77 M6B H29 H29 H 0 1 N N N -25.598 6.881 -36.011 0.339 -2.049 1.938 H29 M6B 78 M6B H30 H30 H 0 1 N N N -29.504 6.000 -33.998 -3.253 -0.818 4.220 H30 M6B 79 M6B H31 H31 H 0 1 N N N -28.508 5.265 -31.968 -2.342 -2.943 3.950 H31 M6B 80 M6B H32 H32 H 0 1 N N N -29.386 3.717 -32.212 -4.012 -3.462 3.623 H32 M6B 81 M6B H33 H33 H 0 1 N N N -27.596 3.721 -32.070 -2.729 -3.792 2.434 H33 M6B 82 M6B H34 H34 H 0 1 N N N -27.267 2.719 -34.552 -5.371 -2.378 1.992 H34 M6B 83 M6B H35 H35 H 0 1 N N N -29.030 1.702 -33.267 -6.034 -1.061 0.410 H35 M6B 84 M6B H36 H36 H 0 1 N N N -30.924 3.210 -33.784 -3.843 0.774 1.332 H36 M6B 85 M6B H37 H37 H 0 1 N N N -30.915 2.632 -35.485 -5.454 1.212 0.715 H37 M6B 86 M6B H38 H38 H 0 1 N N N -31.319 1.497 -34.153 -5.295 0.412 2.297 H38 M6B 87 M6B H39 H39 H 0 1 N N N -25.968 2.926 -36.811 -6.604 -3.885 -1.451 H39 M6B 88 M6B H40 H40 H 0 1 N N N -26.416 1.990 -38.277 -6.172 -4.609 0.117 H40 M6B 89 M6B H41 H41 H 0 1 N N N -26.920 3.707 -38.120 -6.680 -2.905 0.032 H41 M6B 90 M6B H42 H42 H 0 1 N N N -30.057 1.787 -37.482 -2.928 -4.160 -1.646 H42 M6B 91 M6B H43 H43 H 0 1 N N N -29.298 3.045 -38.515 -3.992 -5.372 -0.893 H43 M6B 92 M6B H44 H44 H 0 1 N N N -28.794 1.328 -38.673 -4.454 -4.618 -2.438 H44 M6B 93 M6B H45 H45 H 0 1 N N N -29.758 0.516 -35.804 -3.255 -0.744 -0.727 H45 M6B 94 M6B H46 H46 H 0 1 N N N -27.912 -1.101 -35.274 -5.398 0.979 -1.098 H46 M6B 95 M6B H47 H47 H 0 1 N N N -29.110 -2.036 -33.331 -6.758 -0.845 -2.102 H47 M6B 96 M6B H48 H48 H 0 1 N N N -29.962 -0.467 -33.130 -6.332 0.412 -3.287 H48 M6B 97 M6B H49 H49 H 0 1 N N N -30.209 -1.439 -34.620 -5.447 -1.132 -3.271 H49 M6B 98 M6B H50 H50 H 0 1 N N N -27.319 1.019 -33.266 -2.939 0.234 -2.528 H50 M6B 99 M6B H51 H51 H 0 1 N N N -27.198 -0.676 -32.684 -4.179 0.999 -3.581 H51 M6B 100 M6B H52 H52 H 0 1 N N N -25.660 1.659 -34.921 -5.132 2.825 -1.267 H52 M6B 101 M6B H53 H53 H 0 1 N N N -25.595 -2.254 -33.832 -4.538 3.348 -3.440 H53 M6B 102 M6B H54 H54 H 0 1 N N N -26.085 -1.759 -35.488 -3.058 4.175 -2.898 H54 M6B 103 M6B H55 H55 H 0 1 N N N -24.374 -1.586 -34.967 -2.950 2.822 -4.050 H55 M6B 104 M6B H56 H56 H 0 1 N N N -23.688 0.242 -33.517 -1.356 1.949 -2.447 H56 M6B 105 M6B H57 H57 H 0 1 N N N -22.710 -0.187 -31.969 0.180 1.015 -1.612 H57 M6B 106 M6B H58 H58 H 0 1 N N N -23.435 -0.540 -30.364 0.078 0.337 0.030 H58 M6B 107 M6B H59 H59 H 0 1 N N N -22.322 -4.428 -31.775 -0.590 -3.032 -2.366 H59 M6B 108 # 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 M6B C26 C24 SING N N 1 M6B C25 C24 SING N N 2 M6B C24 O8 SING N N 3 M6B C24 O9 SING N N 4 M6B O8 C9 SING N N 5 M6B O9 C11 SING N N 6 M6B C9 C8 SING N N 7 M6B C9 C10 SING N N 8 M6B O7 C6 SING N N 9 M6B C28 C27 SING N N 10 M6B O1 C1 DOUB N N 11 M6B C11 C10 SING N N 12 M6B C11 C12 SING N N 13 M6B C31 C6 SING N N 14 M6B C8 C32 SING N N 15 M6B C8 C7 SING N N 16 M6B O10 C12 SING N N 17 M6B C33 C10 SING N N 18 M6B C27 C13 SING N N 19 M6B C13 C12 SING N N 20 M6B C13 O2 SING N N 21 M6B C6 C7 SING N N 22 M6B C6 C5 SING N N 23 M6B C12 C34 SING N N 24 M6B C1 O2 SING N N 25 M6B C1 C2 SING N N 26 M6B O4 C14 DOUB N N 27 M6B C5 C4 SING N N 28 M6B C5 O6 SING N N 29 M6B C29 C2 SING N N 30 M6B C3 C2 SING N N 31 M6B C3 C4 SING N N 32 M6B C3 O3 SING N N 33 M6B C4 C30 SING N N 34 M6B C14 O3 SING N N 35 M6B C14 N1 SING N N 36 M6B O6 C21 SING N N 37 M6B C23 C22 TRIP N N 38 M6B C22 C21 SING N N 39 M6B C15 C16 SING N N 40 M6B C15 N1 SING N N 41 M6B C16 C17 SING N N 42 M6B C20 N5 SING N N 43 M6B O5 C19 DOUB N N 44 M6B N5 C19 SING N N 45 M6B C19 N4 SING N N 46 M6B N2 C17 SING N N 47 M6B N2 C18 SING N N 48 M6B N4 C18 SING N N 49 M6B C18 N3 DOUB N N 50 M6B C20 H1 SING N N 51 M6B C20 H2 SING N N 52 M6B C20 H3 SING N N 53 M6B N5 H4 SING N N 54 M6B N4 H5 SING N N 55 M6B N3 H6 SING N N 56 M6B N2 H7 SING N N 57 M6B C17 H8 SING N N 58 M6B C17 H9 SING N N 59 M6B C16 H10 SING N N 60 M6B C16 H11 SING N N 61 M6B C15 H12 SING N N 62 M6B C15 H13 SING N N 63 M6B N1 H14 SING N N 64 M6B C3 H15 SING N N 65 M6B C4 H16 SING N N 66 M6B C30 H17 SING N N 67 M6B C30 H18 SING N N 68 M6B C30 H19 SING N N 69 M6B C2 H20 SING N N 70 M6B C29 H21 SING N N 71 M6B C29 H22 SING N N 72 M6B C29 H23 SING N N 73 M6B C13 H24 SING N N 74 M6B C27 H25 SING N N 75 M6B C27 H26 SING N N 76 M6B C28 H27 SING N N 77 M6B C28 H28 SING N N 78 M6B C28 H29 SING N N 79 M6B O10 H30 SING N N 80 M6B C34 H31 SING N N 81 M6B C34 H32 SING N N 82 M6B C34 H33 SING N N 83 M6B C11 H34 SING N N 84 M6B C10 H35 SING N N 85 M6B C33 H36 SING N N 86 M6B C33 H37 SING N N 87 M6B C33 H38 SING N N 88 M6B C25 H39 SING N N 89 M6B C25 H40 SING N N 90 M6B C25 H41 SING N N 91 M6B C26 H42 SING N N 92 M6B C26 H43 SING N N 93 M6B C26 H44 SING N N 94 M6B C9 H45 SING N N 95 M6B C8 H46 SING N N 96 M6B C32 H47 SING N N 97 M6B C32 H48 SING N N 98 M6B C32 H49 SING N N 99 M6B C7 H50 SING N N 100 M6B C7 H51 SING N N 101 M6B O7 H52 SING N N 102 M6B C31 H53 SING N N 103 M6B C31 H54 SING N N 104 M6B C31 H55 SING N N 105 M6B C5 H56 SING N N 106 M6B C21 H57 SING N N 107 M6B C21 H58 SING N N 108 M6B C23 H59 SING N N 109 # 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 M6B SMILES ACDLabs 12.01 "CNC(N\C(=N)NCCCNC(OC2C(C)C(OC(C(C)(O)C1C(C)C(OC(O1)(C)C)C(C)CC(C(C2C)OCC#C)(O)C)CC)=O)=O)=O" M6B InChI InChI 1.03 ;InChI=1S/C34H59N5O10/c1-12-17-45-26-21(5)25(47-31(42)38-16-14-15-37-29(35)39-30(41)36-11)22(6)28(40)46-23(13-2)34(10,44)27-20(4)24(48-32(7,8)49-27)19(3)18-33(26,9)43/h1,19-27,43-44H,13-18H2,2-11H3,(H,38,42)(H4,35,36,37,39,41)/t19-,20+,21+,22-,23-,24+,25+,26-,27-,33-,34-/m1/s1 ; M6B InChIKey InChI 1.03 DJXCCVYRAMGGTR-CTVLDKPJSA-N M6B SMILES_CANONICAL CACTVS 3.385 "CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@@H](C)[C@@H]2OC(C)(C)O[C@H]([C@H]2C)[C@]1(C)O" M6B SMILES CACTVS 3.385 "CC[CH]1OC(=O)[CH](C)[CH](OC(=O)NCCCNC(=N)NC(=O)NC)[CH](C)[CH](OCC#C)[C](C)(O)C[CH](C)[CH]2OC(C)(C)O[CH]([CH]2C)[C]1(C)O" M6B SMILES_CANONICAL "OpenEye OEToolkits" 1.9.2 "[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC" M6B SMILES "OpenEye OEToolkits" 1.9.2 "CCC1C(C2C(C(C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCCCNC(=N)NC(=O)NC)C)OCC#C)(C)O)C)OC(O2)(C)C)C)(C)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 M6B "SYSTEMATIC NAME" ACDLabs 12.01 ;(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate (non-preferred name) ; M6B "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.9.2 "[(1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,17S)-11-ethyl-2,4,6,8,12,15,15,17-octamethyl-4,12-bis(oxidanyl)-9-oxidanylidene-5-prop-2-ynoxy-10,14,16-trioxabicyclo[11.3.1]heptadecan-7-yl] N-[3-[[N-(methylcarbamoyl)carbamimidoyl]amino]propyl]carbamate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site M6B "Create component" 2015-04-16 PDBJ M6B "Initial release" 2015-07-01 RCSB #