46178274 -OEChem-04262416212D 135141 0 1 0 0 0 0 0999 V2000 3.1878 1.2124 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.7509 1.0445 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4668 10.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4849 9.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5894 8.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 5.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7862 5.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1201 7.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8245 5.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7859 15.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8891 13.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2168 15.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 2.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0592 13.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0592 19.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4265 0.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8668 8.3507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 6.0834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1020 5.7978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 2.2470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9769 17.2410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5818 2.6537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7859 17.8288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4769 18.7798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2454 2.0151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6580 20.5024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7623 9.3452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7678 9.2407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1745 10.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5713 9.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9588 8.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8849 6.9494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7804 7.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9068 6.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 5.7470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7158 5.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 9.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3794 5.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2930 6.3856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3975 7.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 8.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 7.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 7.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 4.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0155 6.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 3.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0336 7.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 3.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2415 8.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8996 7.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2360 8.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6428 7.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 4.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 2.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4769 14.7021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1679 15.6532 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4769 14.7021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9769 16.2410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2702 3.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0647 13.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7728 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1679 17.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4769 18.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 2.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0647 19.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8278 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4155 0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2345 2.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 8.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6052 10.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6605 10.5009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3652 7.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0236 8.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 7.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8420 7.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2867 6.7415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2822 6.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4058 4.8033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2174 4.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9804 9.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 8.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9684 11.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2282 5.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0372 5.1812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1186 8.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5668 8.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8854 8.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3272 6.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0086 7.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4568 7.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4678 8.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7864 7.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3382 6.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0012 6.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3392 4.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2415 9.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6249 8.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5352 6.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3604 6.6909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8257 8.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1071 9.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0072 7.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1797 8.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 4.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8645 14.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0709 16.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0893 14.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4245 16.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7344 4.0799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5074 13.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2356 13.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 0.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1413 13.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7561 15.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5782 17.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4236 13.4960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 3.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 2.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4976 2.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5756 0.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0224 21.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0413 20.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9139 0.1372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7800 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8009 1.9720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4867 2.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6681 2.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 56 1 0 0 0 0 2 65 1 0 0 0 0 2 67 1 0 0 0 0 3 30 1 0 0 0 0 3 88 1 0 0 0 0 4 30 2 0 0 0 0 5 33 2 0 0 0 0 35 6 1 1 0 0 0 6 44 1 0 0 0 0 7 38 2 0 0 0 0 8 45 1 0 0 0 0 8 47 1 0 0 0 0 9 45 2 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 57 11 1 1 0 0 0 11119 1 0 0 0 0 58 12 1 1 0 0 0 12120 1 0 0 0 0 13 63 1 0 0 0 0 13 69 1 0 0 0 0 14 64 1 0 0 0 0 14122 1 0 0 0 0 15 70 2 0 0 0 0 16 71 2 0 0 0 0 27 17 1 1 0 0 0 17 33 1 0 0 0 0 17 78 1 0 0 0 0 18 32 1 0 0 0 0 18 36 1 0 0 0 0 18 38 1 0 0 0 0 39 19 1 6 0 0 0 19 45 1 0 0 0 0 19 90 1 0 0 0 0 20 53 1 0 0 0 0 20 54 2 0 0 0 0 21 23 1 0 0 0 0 60 21 1 6 0 0 0 21 66 1 0 0 0 0 22 62 1 0 0 0 0 22 67 2 0 0 0 0 23 68 2 0 0 0 0 24 66 2 0 0 0 0 24 68 1 0 0 0 0 25 67 1 0 0 0 0 25 71 1 0 0 0 0 25126 1 0 0 0 0 26 70 1 0 0 0 0 26128 1 0 0 0 0 26129 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 6 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 31 37 2 0 0 0 0 31 79 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 32 80 1 0 0 0 0 34 35 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 36 1 0 0 0 0 35 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 89 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 41 91 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 43 99 1 0 0 0 0 44 46 1 0 0 0 0 44 48 2 0 0 0 0 46 53 2 0 0 0 0 46 55 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 47100 1 0 0 0 0 48 54 1 0 0 0 0 48101 1 0 0 0 0 49 51 1 0 0 0 0 49102 1 0 0 0 0 49103 1 0 0 0 0 50 52 1 0 0 0 0 50104 1 0 0 0 0 50105 1 0 0 0 0 51 52 1 0 0 0 0 51106 1 0 0 0 0 51107 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 53 56 1 0 0 0 0 54 62 1 0 0 0 0 55 61 2 0 0 0 0 55110 1 0 0 0 0 56 63 2 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 57111 1 0 0 0 0 58 60 1 0 0 0 0 58112 1 0 0 0 0 59 64 1 6 0 0 0 59113 1 0 0 0 0 60114 1 0 0 0 0 61 63 1 0 0 0 0 61115 1 0 0 0 0 62 65 2 0 0 0 0 64116 1 0 0 0 0 64117 1 0 0 0 0 65118 1 0 0 0 0 66121 1 0 0 0 0 68 70 1 0 0 0 0 69123 1 0 0 0 0 69124 1 0 0 0 0 69125 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 72127 1 0 0 0 0 73130 1 0 0 0 0 73131 1 0 0 0 0 73132 1 0 0 0 0 74133 1 0 0 0 0 74134 1 0 0 0 0 74135 1 0 0 0 0 M END > 46178274 > 1 > 1830 > 19 > 8 > 18 > AAADcfB//ABAEAAAAAAAAAAAGAAAAeLFiRA8QAAAAAAAAACx/gAAHgRYCAABr7zl3wa33/fIFgiuAyfzfACS+Ktzqr0d2LW+bLmPfvLkubufeCjv3xvb6jf68e8PIAAAEgACBAhAAAAkAAQIEAAAAAAAAA== > (1R,2S)-1-[[(2S,4S)-4-[[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)thiazol-4-yl]-4-quinolyl]oxy]-1-[(2S)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide > (1R,2S)-1-[[[(2S,4S)-4-[[8-bromo-7-methoxy-2-[2-[(2-methyl-1-oxopropyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-1-[(2S)-2-[[cyclopentyloxy(oxo)methyl]amino]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide > (1R,2S)-1-[[(2S,4S)-4-[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide > (1R,2S)-1-[[(2S,4S)-4-[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide > (1R,2S)-1-[[(2S,4S)-4-[8-bromanyl-7-methoxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid;1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide > (1R,2S)-1-[[(2S,4S)-4-[[8-bromo-2-[2-(isobutyrylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]-1-[(2S)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide > InChI=1S/C40H49BrN6O9S.C8H12N4O5/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41;9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48);2-5,8,13-15H,1H2,(H2,9,16)/t21-,23+,27+,32-,40-;3-,4-,5-,8-/m11/s1 > CMIBCMGMMAFLGM-QMPFHCJFSA-N > 1112.32728 > C48H61BrN10O14S > 1114.0 > CC(C)C(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Br)OC)C(=C2)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5CCCC5)C(=O)NC6(CC6C=C)C(=O)O.C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N > CC(C)C(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Br)OC)C(=C2)O[C@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O.C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N > 370 > 1112.32728 > 0 > 74 > 9 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 57 11 5 58 12 5 27 17 5 39 19 6 2 65 8 2 67 8 20 53 8 20 54 8 21 23 8 60 21 6 21 66 8 22 62 8 22 67 8 23 68 8 24 66 8 24 68 8 28 31 6 32 33 5 44 46 8 44 48 8 46 53 8 46 55 8 48 54 8 53 56 8 55 61 8 56 63 8 59 64 6 35 6 5 61 63 8 62 65 8 $$$$