69140482 -OEChem-05142410082D 129132 0 1 0 0 0 0 0999 V2000 22.4747 -0.9564 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 8.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0539 -1.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 6.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3420 -6.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1230 -3.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9400 -0.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3850 1.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0723 -7.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 4.9477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0288 -3.1040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 6.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 6.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 5.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 5.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 4.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 4.0816 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1200 4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 7.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 3.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 3.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 3.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 7.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 2.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 2.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9566 -5.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 1.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2513 -4.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6200 -1.9805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6200 1.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6200 -1.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1200 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1200 -1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0539 -2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0288 -0.8570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8106 -2.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1200 -1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6200 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8106 -1.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6618 -5.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9122 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0010 -4.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2513 0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7046 -3.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7046 -0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6107 -2.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6107 -1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2069 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5183 0.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4294 1.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7408 1.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0473 -7.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6964 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7275 -8.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8955 0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6075 2.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 7.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2026 6.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 7.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 6.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 5.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 5.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 6.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 4.7356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 4.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 4.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7026 4.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 4.6922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 7.7578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 8.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0374 3.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 2.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0831 3.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 2.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1569 2.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2026 3.4277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5123 3.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5374 2.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 1.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7026 2.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0123 2.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0374 1.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7277 0.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7456 -4.4533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6318 -4.0558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2901 -1.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2026 1.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5123 2.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0374 -2.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7277 -2.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5374 0.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2277 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7026 -0.9025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0123 -0.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4278 -0.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5374 -1.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2277 -1.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7026 0.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0123 1.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2026 -0.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5123 0.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0374 -0.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7277 -0.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1101 -5.7072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2875 -6.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7295 -5.9217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5047 -5.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0949 -4.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1838 -4.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4086 -4.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8183 -5.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 8.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6974 -3.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6974 -0.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1464 -2.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9258 0.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2863 2.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8343 2.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2730 -8.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1492 -8.8663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1819 -7.9900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0783 -0.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4880 0.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7128 0.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2120 2.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7455 3.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0031 2.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 49 1 0 0 0 0 2 23 1 0 0 0 0 2114 1 0 0 0 0 3 29 1 0 0 0 0 3 35 1 0 0 0 0 4 23 2 0 0 0 0 5 42 1 0 0 0 0 5 54 1 0 0 0 0 6 34 2 0 0 0 0 7 50 1 0 0 0 0 7 57 1 0 0 0 0 8 52 1 0 0 0 0 8 58 1 0 0 0 0 9 54 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 28 1 0 0 0 0 11 34 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 59 1 0 0 0 0 13 15 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 16 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 15 64 1 0 0 0 0 15 65 1 0 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 68 1 0 0 0 0 18 20 1 0 0 0 0 18 69 1 0 0 0 0 18 70 1 0 0 0 0 19 23 1 0 0 0 0 19 71 1 0 0 0 0 19 72 1 0 0 0 0 20 22 1 0 0 0 0 20 73 1 0 0 0 0 20 74 1 0 0 0 0 21 75 1 0 0 0 0 21 76 1 0 0 0 0 21 77 1 0 0 0 0 22 24 1 0 0 0 0 22 78 1 0 0 0 0 22 79 1 0 0 0 0 24 25 1 0 0 0 0 24 80 1 0 0 0 0 24 81 1 0 0 0 0 25 27 1 0 0 0 0 25 82 1 0 0 0 0 25 83 1 0 0 0 0 26 28 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 30 1 0 0 0 0 27 84 1 0 0 0 0 27 85 1 0 0 0 0 28 86 1 0 0 0 0 28 87 1 0 0 0 0 29 31 1 1 0 0 0 29 34 1 0 0 0 0 29 88 1 0 0 0 0 30 32 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 31 33 1 0 0 0 0 31 91 1 0 0 0 0 31 92 1 0 0 0 0 32 38 1 0 0 0 0 32 93 1 0 0 0 0 32 94 1 0 0 0 0 33 37 1 0 0 0 0 33 95 1 0 0 0 0 33 96 1 0 0 0 0 35 41 1 0 0 0 0 35 45 1 0 0 0 0 35 97 1 1 0 0 0 36 41 2 0 0 0 0 36 46 1 0 0 0 0 37 39 1 0 0 0 0 37 98 1 0 0 0 0 37 99 1 0 0 0 0 38 40 1 0 0 0 0 38100 1 0 0 0 0 38101 1 0 0 0 0 39 40 1 0 0 0 0 39102 1 0 0 0 0 39103 1 0 0 0 0 40104 1 0 0 0 0 40105 1 0 0 0 0 41 47 1 0 0 0 0 42106 1 0 0 0 0 42107 1 0 0 0 0 43108 1 0 0 0 0 43109 1 0 0 0 0 43110 1 0 0 0 0 44111 1 0 0 0 0 44112 1 0 0 0 0 44113 1 0 0 0 0 45 50 2 0 0 0 0 45 51 1 0 0 0 0 46 48 2 0 0 0 0 46115 1 0 0 0 0 47 49 2 0 0 0 0 47116 1 0 0 0 0 48 49 1 0 0 0 0 48117 1 0 0 0 0 50 52 1 0 0 0 0 51 53 2 0 0 0 0 51118 1 0 0 0 0 52 55 2 0 0 0 0 53 55 1 0 0 0 0 53119 1 0 0 0 0 54 56 1 0 0 0 0 55120 1 0 0 0 0 56121 1 0 0 0 0 56122 1 0 0 0 0 56123 1 0 0 0 0 57124 1 0 0 0 0 57125 1 0 0 0 0 57126 1 0 0 0 0 58127 1 0 0 0 0 58128 1 0 0 0 0 58129 1 0 0 0 0 M END > 69140482 > 1 > 1210 > 9 > 1 > 26 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIACAAADz7hmCYyzoMABgCIAiXSWAKCCAAhJwAIiAFO7ogPJzLFs5+HcCpnxhHa6AfY2fOOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > 2-[1-[15-[(3R,5S)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-methyl-pentadecyl]-4-piperidyl]acetic acid > 2-[1-[16-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]hexadecan-2-yl]-4-piperidinyl]acetic acid > 2-[1-[16-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]hexadecan-2-yl]piperidin-4-yl]acetic acid > 2-[1-[16-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]hexadecan-2-yl]piperidin-4-yl]acetic acid > 2-[1-[16-[(3R,5S)-1-(3-acetyloxy-2,2-dimethyl-propyl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]hexadecan-2-yl]piperidin-4-yl]ethanoic acid > 2-[1-[15-[(3R,5S)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-5H-4,1-benzoxazepin-3-yl]-1-methyl-pentadecyl]-4-piperidyl]acetic acid > InChI=1S/C47H71ClN2O8/c1-34(49-28-26-36(27-29-49)30-43(52)53)20-17-15-13-11-9-7-8-10-12-14-16-18-22-42-46(54)50(32-47(3,4)33-57-35(2)51)40-25-24-37(48)31-39(40)44(58-42)38-21-19-23-41(55-5)45(38)56-6/h19,21,23-25,31,34,36,42,44H,7-18,20,22,26-30,32-33H2,1-6H3,(H,52,53)/t34?,42-,44-/m1/s1 > ZQTQFQRMNJSBFK-FADLUGSUSA-N > 9.4 > 826.4898949 > C47H71ClN2O8 > 827.5 > CC(CCCCCCCCCCCCCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(O1)C3=C(C(=CC=C3)OC)OC)CC(C)(C)COC(=O)C)N4CCC(CC4)CC(=O)O > CC(CCCCCCCCCCCCCC[C@@H]1C(=O)N(C2=C(C=C(C=C2)Cl)[C@H](O1)C3=C(C(=CC=C3)OC)OC)CC(C)(C)COC(=O)C)N4CCC(CC4)CC(=O)O > 115 > 826.4898949 > 0 > 58 > 2 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 21 3 29 31 5 35 97 5 36 41 8 36 46 8 41 47 8 45 50 8 45 51 8 46 48 8 47 49 8 48 49 8 50 52 8 51 53 8 52 55 8 53 55 8 $$$$