70036558 -OEChem-04252404222D 86 89 0 1 0 0 0 0 0999 V2000 13.8547 1.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.4339 1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7220 -4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 -0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3200 2.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 2.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7650 4.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4523 -5.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 5.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4088 -0.5059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 1.4836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3366 -2.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6313 -1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0418 -3.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.6175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2922 -2.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3810 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4088 1.7410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1906 1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4339 -0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6313 2.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0846 -0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0846 1.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9907 0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9907 1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5869 3.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 1.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8983 3.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8094 3.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4273 -5.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1208 4.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0764 4.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1075 -5.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 2.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2755 2.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 3.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9875 5.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 3.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 4.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1256 -1.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0118 -1.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4901 -3.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6675 -3.8862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6701 1.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1095 -3.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8847 -2.9139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4749 -2.1387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5638 -1.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7886 -1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1983 -2.7342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8078 2.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4174 0.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1077 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0774 -1.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0774 2.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5264 -0.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3058 3.2134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6663 4.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 0.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2143 5.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6530 -6.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5292 -6.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5619 -5.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4583 2.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8680 2.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0928 3.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 3.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 1.8127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5920 5.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1255 5.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3831 5.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 4.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 3.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 5.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 5.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 5.8137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 15 1 0 0 0 0 3 33 1 0 0 0 0 4 22 2 0 0 0 0 5 29 1 0 0 0 0 5 38 1 0 0 0 0 6 30 2 0 0 0 0 7 32 1 0 0 0 0 7 41 1 0 0 0 0 8 33 2 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 46 2 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 12 30 1 0 0 0 0 12 37 1 0 0 0 0 12 67 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 21 2 0 0 0 0 16 25 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 1 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 59 1 1 0 0 0 21 26 1 0 0 0 0 23 30 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 29 2 0 0 0 0 24 31 1 0 0 0 0 25 27 2 0 0 0 0 25 62 1 0 0 0 0 26 28 2 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 64 1 0 0 0 0 29 32 1 0 0 0 0 31 34 2 0 0 0 0 31 65 1 0 0 0 0 32 35 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 42 1 0 0 0 0 39 75 1 0 0 0 0 40 43 2 0 0 0 0 40 76 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 42 44 2 0 0 0 0 42 80 1 0 0 0 0 43 44 1 0 0 0 0 43 81 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 47 84 1 0 0 0 0 47 85 1 0 0 0 0 47 86 1 0 0 0 0 M END > 70036558 > 1 > 1080 > 9 > 1 > 14 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAAwYMAABYAAAAABUAAAHgIQAAAADh7hmCYyzoPABACIAiXSWAKCCAAhJwAIiAFO7ogPJzbFt5+HMCpn9hHa6Afd2POOCABBIAAKQAAQAIJAABSAAAAAAAAAAA== > methyl 2-[4-[[2-[(3R,5S)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]phenyl]acetate > 2-[4-[[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]amino]phenyl]acetic acid methyl ester > methyl 2-[4-[[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]phenyl]acetate > methyl 2-[4-[[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]phenyl]acetate > methyl 2-[4-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethyl-propyl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoylamino]phenyl]ethanoate > 2-[4-[[2-[(3R,5S)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetyl]amino]phenyl]acetic acid methyl ester > InChI=1S/C35H39ClN2O9/c1-21(39)46-20-35(2,3)19-38-27-15-12-23(36)17-26(27)32(25-8-7-9-28(43-4)33(25)45-6)47-29(34(38)42)18-30(40)37-24-13-10-22(11-14-24)16-31(41)44-5/h7-15,17,29,32H,16,18-20H2,1-6H3,(H,37,40)/t29-,32-/m1/s1 > RLPBCDZCCLWXJC-QLWXXVCSSA-N > 4.7 > 666.2344085 > C35H39ClN2O9 > 667.1 > CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NC3=CC=C(C=C3)CC(=O)OC)C4=C(C(=CC=C4)OC)OC > CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)NC3=CC=C(C=C3)CC(=O)OC)C4=C(C(=CC=C4)OC)OC > 130 > 666.2344085 > 0 > 47 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 21 8 16 25 8 17 23 5 20 59 5 21 26 8 24 29 8 24 31 8 25 27 8 26 28 8 27 28 8 29 32 8 31 34 8 32 35 8 34 35 8 37 39 8 37 40 8 39 42 8 40 43 8 42 44 8 43 44 8 $$$$