data_M6G # _chem_comp.id M6G _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 {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C36 H63 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 725.913 _chem_comp.one_letter_code ? _chem_comp.three_letter_code M6G _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 4Z2J _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 M6G C1 C1 C 0 1 N N N -26.427 4.666 -34.063 -26.427 4.666 -34.063 C1 M6G 1 M6G C2 C2 C 0 1 N N R -25.157 4.572 -33.254 -25.157 4.572 -33.254 C2 M6G 2 M6G C3 C3 C 0 1 N N S -24.643 3.126 -33.222 -24.643 3.126 -33.222 C3 M6G 3 M6G C4 C4 C 0 1 N N S -25.727 2.128 -32.841 -25.727 2.128 -32.841 C4 M6G 4 M6G C5 C5 C 0 1 N N R -25.292 0.705 -33.174 -25.292 0.705 -33.174 C5 M6G 5 M6G C6 C6 C 0 1 N N R -26.199 0.061 -34.213 -26.199 0.061 -34.213 C6 M6G 6 M6G O1 O1 O 0 1 N N N -26.394 4.696 -35.280 -26.394 4.696 -35.280 O1 M6G 7 M6G O2 O2 O 0 1 N N N -27.714 4.686 -33.368 -27.714 4.686 -33.368 O2 M6G 8 M6G O3 O3 O 0 1 N N N -23.600 3.095 -32.270 -23.600 3.095 -32.270 O3 M6G 9 M6G O4 O4 O 0 1 N N N -22.319 2.461 -34.040 -22.319 2.461 -34.040 O4 M6G 10 M6G O5 O5 O 0 1 N N N -19.532 -4.645 -30.688 -19.532 -4.645 -30.688 O5 M6G 11 M6G O6 O6 O 0 1 N N N -25.255 -0.144 -32.012 -25.255 -0.144 -32.012 O6 M6G 12 M6G C22 C7 C 0 1 N N N -20.679 -7.172 -31.164 -20.679 -7.172 -31.164 C22 M6G 13 M6G N5 N1 N 0 1 N N N -21.189 -6.131 -30.303 -21.189 -6.131 -30.303 N5 M6G 14 M6G C21 C8 C 0 1 N N N -20.571 -4.967 -30.100 -20.571 -4.967 -30.100 C21 M6G 15 M6G N4 N2 N 0 1 N N N -21.184 -4.211 -29.173 -21.184 -4.211 -29.173 N4 M6G 16 M6G C20 C9 C 0 1 N N N -20.835 -2.964 -28.879 -20.835 -2.964 -28.879 C20 M6G 17 M6G N3 N3 N 0 1 N N N -21.383 -2.371 -27.908 -21.383 -2.371 -27.908 N3 M6G 18 M6G N2 N4 N 0 1 N N N -19.914 -2.343 -29.597 -19.914 -2.343 -29.597 N2 M6G 19 M6G C16 C10 C 0 1 N N N -19.193 1.669 -31.525 -19.193 1.669 -31.525 C16 M6G 20 M6G C15 C11 C 0 1 N N N -19.935 2.422 -32.641 -19.935 2.422 -32.641 C15 M6G 21 M6G N1 N5 N 0 1 N N N -21.224 2.868 -32.161 -21.224 2.868 -32.161 N1 M6G 22 M6G C14 C12 C 0 1 N N N -22.323 2.803 -32.888 -22.323 2.803 -32.888 C14 M6G 23 M6G C32 C13 C 0 1 N N N -26.171 2.327 -31.398 -26.171 2.327 -31.398 C32 M6G 24 M6G C31 C14 C 0 1 N N N -24.104 5.534 -33.775 -24.104 5.534 -33.775 C31 M6G 25 M6G C13 C15 C 0 1 N N R -28.832 5.000 -34.239 -28.832 5.000 -34.239 C13 M6G 26 M6G C29 C16 C 0 1 N N N -29.316 6.440 -34.008 -29.316 6.440 -34.008 C29 M6G 27 M6G C30 C17 C 0 1 N N N -28.229 7.424 -34.391 -28.229 7.424 -34.391 C30 M6G 28 M6G C12 C18 C 0 1 N N R -29.937 3.969 -34.012 -29.937 3.969 -34.012 C12 M6G 29 M6G O10 O7 O 0 1 N N N -31.169 4.461 -34.555 -31.169 4.461 -34.555 O10 M6G 30 M6G C36 C19 C 0 1 N N N -30.074 3.764 -32.508 -30.074 3.764 -32.508 C36 M6G 31 M6G C11 C20 C 0 1 N N R -29.498 2.722 -34.791 -29.498 2.722 -34.791 C11 M6G 32 M6G C10 C21 C 0 1 N N S -30.044 1.359 -34.396 -30.044 1.359 -34.396 C10 M6G 33 M6G C35 C22 C 0 1 N N N -31.570 1.283 -34.365 -31.570 1.283 -34.365 C35 M6G 34 M6G O9 O8 O 0 1 N N N -29.830 2.907 -36.161 -29.830 2.907 -36.161 O9 M6G 35 M6G C26 C23 C 0 1 N N N -29.128 2.021 -37.041 -29.128 2.021 -37.041 C26 M6G 36 M6G C27 C24 C 0 1 N N N -28.009 2.764 -37.758 -28.009 2.764 -37.758 C27 M6G 37 M6G C28 C25 C 0 1 N N N -30.153 1.484 -38.026 -30.153 1.484 -38.026 C28 M6G 38 M6G O8 O9 O 0 1 N N N -28.505 0.968 -36.293 -28.505 0.968 -36.293 O8 M6G 39 M6G C9 C26 C 0 1 N N S -29.417 0.356 -35.379 -29.417 0.356 -35.379 C9 M6G 40 M6G C8 C27 C 0 1 N N R -28.620 -0.695 -34.639 -28.620 -0.695 -34.639 C8 M6G 41 M6G C34 C28 C 0 1 N N N -29.615 -1.587 -33.923 -29.615 -1.587 -33.923 C34 M6G 42 M6G C7 C29 C 0 1 N N N -27.611 -0.062 -33.654 -27.611 -0.062 -33.654 C7 M6G 43 M6G O7 O10 O 0 1 N N N -26.201 0.905 -35.370 -26.201 0.905 -35.370 O7 M6G 44 M6G C33 C30 C 0 1 N N N -25.650 -1.322 -34.574 -25.650 -1.322 -34.574 C33 M6G 45 M6G C23 C31 C 0 1 N N N -23.943 -0.144 -31.427 -23.943 -0.144 -31.427 C23 M6G 46 M6G C24 C32 C 0 1 N N N -23.186 -1.333 -31.820 -23.186 -1.333 -31.820 C24 M6G 47 M6G C25 C33 C 0 1 N N N -22.571 -2.425 -32.093 -22.571 -2.425 -32.093 C25 M6G 48 M6G C17 C34 C 0 1 N N N -19.386 0.148 -31.581 -19.386 0.148 -31.581 C17 M6G 49 M6G C18 C35 C 0 1 N N N -18.682 -0.418 -30.370 -18.682 -0.418 -30.370 C18 M6G 50 M6G C19 C36 C 0 1 N N N -19.615 -0.962 -29.319 -19.615 -0.962 -29.319 C19 M6G 51 M6G H1 H1 H 0 1 N N N -25.394 4.863 -32.220 -25.394 4.863 -32.220 H1 M6G 52 M6G H2 H2 H 0 1 N N N -24.258 2.868 -34.219 -24.258 2.868 -34.219 H2 M6G 53 M6G H3 H3 H 0 1 N N N -26.599 2.349 -33.474 -26.599 2.349 -33.474 H3 M6G 54 M6G H4 H4 H 0 1 N N N -24.280 0.759 -33.603 -24.281 0.759 -33.603 H4 M6G 55 M6G H5 H5 H 0 1 N N N -21.373 -8.025 -31.159 -21.373 -8.026 -31.159 H5 M6G 56 M6G H6 H6 H 0 1 N N N -20.582 -6.785 -32.189 -20.582 -6.785 -32.189 H6 M6G 57 M6G H7 H7 H 0 1 N N N -19.694 -7.499 -30.800 -19.694 -7.499 -30.800 H7 M6G 58 M6G H8 H8 H 0 1 N N N -22.056 -6.292 -29.832 -22.056 -6.292 -29.832 H8 M6G 59 M6G H9 H9 H 0 1 N N N -21.951 -4.613 -28.673 -21.951 -4.613 -28.673 H9 M6G 60 M6G H10 H10 H 0 1 N N N -22.057 -2.949 -27.448 -22.057 -2.949 -27.448 H10 M6G 61 M6G H11 H11 H 0 1 N N N -19.430 -2.828 -30.326 -19.430 -2.828 -30.326 H11 M6G 62 M6G H12 H12 H 0 1 N N N -18.118 1.887 -31.612 -18.118 1.887 -31.612 H12 M6G 63 M6G H13 H13 H 0 1 N N N -19.563 2.032 -30.555 -19.563 2.032 -30.555 H13 M6G 64 M6G H14 H14 H 0 1 N N N -20.078 1.751 -33.501 -20.078 1.751 -33.501 H14 M6G 65 M6G H15 H15 H 0 1 N N N -19.340 3.294 -32.951 -19.340 3.293 -32.951 H15 M6G 66 M6G H16 H16 H 0 1 N N N -21.285 3.243 -31.236 -21.285 3.243 -31.236 H16 M6G 67 M6G H17 H17 H 0 1 N N N -26.953 1.594 -31.150 -26.953 1.594 -31.150 H17 M6G 68 M6G H18 H18 H 0 1 N N N -25.311 2.186 -30.727 -25.311 2.186 -30.727 H18 M6G 69 M6G H19 H19 H 0 1 N N N -26.570 3.345 -31.274 -26.570 3.345 -31.274 H19 M6G 70 M6G H20 H20 H 0 1 N N N -23.191 5.444 -33.168 -23.191 5.444 -33.167 H20 M6G 71 M6G H21 H21 H 0 1 N N N -23.872 5.292 -34.823 -23.872 5.292 -34.823 H21 M6G 72 M6G H22 H22 H 0 1 N N N -24.485 6.564 -33.713 -24.485 6.564 -33.713 H22 M6G 73 M6G H23 H23 H 0 1 N N N -28.503 4.919 -35.285 -28.503 4.919 -35.285 H23 M6G 74 M6G H24 H24 H 0 1 N N N -29.569 6.573 -32.946 -29.569 6.573 -32.946 H24 M6G 75 M6G H25 H25 H 0 1 N N N -30.209 6.627 -34.623 -30.209 6.627 -34.623 H25 M6G 76 M6G H26 H26 H 0 1 N N N -28.587 8.450 -34.222 -28.587 8.450 -34.222 H26 M6G 77 M6G H27 H27 H 0 1 N N N -27.336 7.241 -33.776 -27.336 7.241 -33.776 H27 M6G 78 M6G H28 H28 H 0 1 N N N -27.976 7.295 -35.454 -27.976 7.295 -35.454 H28 M6G 79 M6G H29 H29 H 0 1 N N N -31.442 5.233 -34.073 -31.442 5.233 -34.074 H29 M6G 80 M6G H30 H30 H 0 1 N N N -30.391 4.706 -32.036 -30.391 4.706 -32.036 H30 M6G 81 M6G H31 H31 H 0 1 N N N -30.825 2.985 -32.311 -30.825 2.985 -32.311 H31 M6G 82 M6G H32 H32 H 0 1 N N N -29.105 3.453 -32.091 -29.105 3.453 -32.091 H32 M6G 83 M6G H33 H33 H 0 1 N N N -28.403 2.665 -34.708 -28.403 2.665 -34.708 H33 M6G 84 M6G H34 H34 H 0 1 N N N -29.672 1.121 -33.389 -29.672 1.121 -33.389 H34 M6G 85 M6G H35 H35 H 0 1 N N N -31.960 2.020 -33.647 -31.960 2.020 -33.647 H35 M6G 86 M6G H36 H36 H 0 1 N N N -31.968 1.501 -35.367 -31.968 1.501 -35.367 H36 M6G 87 M6G H37 H37 H 0 1 N N N -31.881 0.273 -34.059 -31.881 0.273 -34.058 H37 M6G 88 M6G H38 H38 H 0 1 N N N -27.285 3.139 -37.019 -27.285 3.139 -37.019 H38 M6G 89 M6G H39 H39 H 0 1 N N N -27.501 2.079 -38.453 -27.501 2.079 -38.453 H39 M6G 90 M6G H40 H40 H 0 1 N N N -28.432 3.610 -38.320 -28.432 3.610 -38.320 H40 M6G 91 M6G H41 H41 H 0 1 N N N -30.946 0.954 -37.478 -30.946 0.954 -37.478 H41 M6G 92 M6G H42 H42 H 0 1 N N N -30.593 2.320 -38.590 -30.593 2.320 -38.590 H42 M6G 93 M6G H43 H43 H 0 1 N N N -29.662 0.789 -38.724 -29.662 0.789 -38.724 H43 M6G 94 M6G H44 H44 H 0 1 N N N -30.227 -0.140 -35.934 -30.227 -0.140 -35.934 H44 M6G 95 M6G H45 H45 H 0 1 N N N -28.062 -1.299 -35.370 -28.062 -1.299 -35.369 H45 M6G 96 M6G H46 H46 H 0 1 N N N -29.075 -2.369 -33.369 -29.075 -2.369 -33.369 H46 M6G 97 M6G H47 H47 H 0 1 N N N -30.208 -0.984 -33.220 -30.208 -0.984 -33.220 H47 M6G 98 M6G H48 H48 H 0 1 N N N -30.284 -2.055 -34.660 -30.284 -2.055 -34.660 H48 M6G 99 M6G H49 H49 H 0 1 N N N -27.968 0.944 -33.391 -27.969 0.944 -33.391 H49 M6G 100 M6G H50 H50 H 0 1 N N N -27.572 -0.686 -32.749 -27.572 -0.686 -32.749 H50 M6G 101 M6G H51 H51 H 0 1 N N N -26.543 1.760 -35.138 -26.543 1.760 -35.138 H51 M6G 102 M6G H52 H52 H 0 1 N N N -25.652 -1.963 -33.680 -25.652 -1.963 -33.680 H52 M6G 103 M6G H53 H53 H 0 1 N N N -26.282 -1.776 -35.352 -26.282 -1.776 -35.352 H53 M6G 104 M6G H54 H54 H 0 1 N N N -24.621 -1.221 -34.950 -24.621 -1.221 -34.950 H54 M6G 105 M6G H55 H55 H 0 1 N N N -23.401 0.753 -31.762 -23.401 0.753 -31.762 H55 M6G 106 M6G H56 H56 H 0 1 N N N -24.039 -0.126 -30.331 -24.039 -0.126 -30.331 H56 M6G 107 M6G H57 H57 H 0 1 N N N -22.063 -3.327 -32.319 -22.063 -3.327 -32.319 H57 M6G 108 M6G H58 H58 H 0 1 N N N -20.457 -0.101 -31.549 -20.457 -0.101 -31.549 H58 M6G 109 M6G H59 H59 H 0 1 N N N -18.943 -0.258 -32.502 -18.943 -0.258 -32.502 H59 M6G 110 M6G H60 H60 H 0 1 N N N -18.022 -1.233 -30.703 -18.022 -1.233 -30.703 H60 M6G 111 M6G H61 H61 H 0 1 N N N -18.077 0.381 -29.916 -18.077 0.381 -29.916 H61 M6G 112 M6G H62 H62 H 0 1 N N N -19.137 -0.884 -28.331 -19.137 -0.884 -28.331 H62 M6G 113 M6G H63 H63 H 0 1 N N N -20.548 -0.379 -29.322 -20.548 -0.379 -29.322 H63 M6G 114 # 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 M6G C28 C26 SING N N 1 M6G C27 C26 SING N N 2 M6G C26 O8 SING N N 3 M6G C26 O9 SING N N 4 M6G O8 C9 SING N N 5 M6G O9 C11 SING N N 6 M6G C9 C8 SING N N 7 M6G C9 C10 SING N N 8 M6G O7 C6 SING N N 9 M6G O1 C1 DOUB N N 10 M6G C11 C10 SING N N 11 M6G C11 C12 SING N N 12 M6G C8 C34 SING N N 13 M6G C8 C7 SING N N 14 M6G C33 C6 SING N N 15 M6G O10 C12 SING N N 16 M6G C10 C35 SING N N 17 M6G C30 C29 SING N N 18 M6G C13 C12 SING N N 19 M6G C13 C29 SING N N 20 M6G C13 O2 SING N N 21 M6G C6 C7 SING N N 22 M6G C6 C5 SING N N 23 M6G C1 O2 SING N N 24 M6G C1 C2 SING N N 25 M6G O4 C14 DOUB N N 26 M6G C12 C36 SING N N 27 M6G C31 C2 SING N N 28 M6G C2 C3 SING N N 29 M6G C3 C4 SING N N 30 M6G C3 O3 SING N N 31 M6G C5 C4 SING N N 32 M6G C5 O6 SING N N 33 M6G C14 O3 SING N N 34 M6G C14 N1 SING N N 35 M6G C4 C32 SING N N 36 M6G C15 N1 SING N N 37 M6G C15 C16 SING N N 38 M6G C25 C24 TRIP N N 39 M6G O6 C23 SING N N 40 M6G C24 C23 SING N N 41 M6G C17 C16 SING N N 42 M6G C17 C18 SING N N 43 M6G C22 N5 SING N N 44 M6G O5 C21 DOUB N N 45 M6G C18 C19 SING N N 46 M6G N5 C21 SING N N 47 M6G C21 N4 SING N N 48 M6G N2 C19 SING N N 49 M6G N2 C20 SING N N 50 M6G N4 C20 SING N N 51 M6G C20 N3 DOUB N N 52 M6G C2 H1 SING N N 53 M6G C3 H2 SING N N 54 M6G C4 H3 SING N N 55 M6G C5 H4 SING N N 56 M6G C22 H5 SING N N 57 M6G C22 H6 SING N N 58 M6G C22 H7 SING N N 59 M6G N5 H8 SING N N 60 M6G N4 H9 SING N N 61 M6G N3 H10 SING N N 62 M6G N2 H11 SING N N 63 M6G C16 H12 SING N N 64 M6G C16 H13 SING N N 65 M6G C15 H14 SING N N 66 M6G C15 H15 SING N N 67 M6G N1 H16 SING N N 68 M6G C32 H17 SING N N 69 M6G C32 H18 SING N N 70 M6G C32 H19 SING N N 71 M6G C31 H20 SING N N 72 M6G C31 H21 SING N N 73 M6G C31 H22 SING N N 74 M6G C13 H23 SING N N 75 M6G C29 H24 SING N N 76 M6G C29 H25 SING N N 77 M6G C30 H26 SING N N 78 M6G C30 H27 SING N N 79 M6G C30 H28 SING N N 80 M6G O10 H29 SING N N 81 M6G C36 H30 SING N N 82 M6G C36 H31 SING N N 83 M6G C36 H32 SING N N 84 M6G C11 H33 SING N N 85 M6G C10 H34 SING N N 86 M6G C35 H35 SING N N 87 M6G C35 H36 SING N N 88 M6G C35 H37 SING N N 89 M6G C27 H38 SING N N 90 M6G C27 H39 SING N N 91 M6G C27 H40 SING N N 92 M6G C28 H41 SING N N 93 M6G C28 H42 SING N N 94 M6G C28 H43 SING N N 95 M6G C9 H44 SING N N 96 M6G C8 H45 SING N N 97 M6G C34 H46 SING N N 98 M6G C34 H47 SING N N 99 M6G C34 H48 SING N N 100 M6G C7 H49 SING N N 101 M6G C7 H50 SING N N 102 M6G O7 H51 SING N N 103 M6G C33 H52 SING N N 104 M6G C33 H53 SING N N 105 M6G C33 H54 SING N N 106 M6G C23 H55 SING N N 107 M6G C23 H56 SING N N 108 M6G C25 H57 SING N N 109 M6G C17 H58 SING N N 110 M6G C17 H59 SING N N 111 M6G C18 H60 SING N N 112 M6G C18 H61 SING N N 113 M6G C19 H62 SING N N 114 M6G C19 H63 SING N N 115 # 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 M6G SMILES ACDLabs 12.01 "C2(OC(C(C)(O)C1C(C)C(OC(O1)(C)C)C(C)CC(C(C(C(C2C)OC(=O)NCCCCCNC(/NC(=O)NC)=N)C)OCC#C)(O)C)CC)=O" M6G InChI InChI 1.03 ;InChI=1S/C36H63N5O10/c1-12-19-47-28-23(5)27(49-33(44)40-18-16-14-15-17-39-31(37)41-32(43)38-11)24(6)30(42)48-25(13-2)36(10,46)29-22(4)26(50-34(7,8)51-29)21(3)20-35(28,9)45/h1,21-29,45-46H,13-20H2,2-11H3,(H,40,44)(H4,37,38,39,41,43)/t21-,22+,23+,24-,25-,26+,27+,28-,29-,35-,36-/m1/s1 ; M6G InChIKey InChI 1.03 JESMGDFXUFCWJZ-DREZOQDVSA-N M6G SMILES_CANONICAL CACTVS 3.385 "CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCCCCCNC(=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" M6G SMILES CACTVS 3.385 "CC[CH]1OC(=O)[CH](C)[CH](OC(=O)NCCCCCNC(=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" M6G SMILES_CANONICAL "OpenEye OEToolkits" 1.9.2 "[H]/N=C(\NCCCCCNC(=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" M6G SMILES "OpenEye OEToolkits" 1.9.2 "CCC1C(C2C(C(C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCCCCCNC(=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 M6G "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 {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate (non-preferred name) ; M6G "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-[5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentyl]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 M6G "Create component" 2015-04-16 PDBJ M6G "Initial release" 2015-07-01 RCSB #