70036481 -OEChem-04242421352D 96 99 0 1 0 0 0 0 0999 V2000 15.8547 1.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.4339 1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7220 -4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8104 -1.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3200 2.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 2.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7650 4.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4523 -5.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 3.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 5.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4088 -0.5059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 1.4836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3366 -2.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6313 -1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0418 -3.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1906 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 0.6175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2922 -2.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3810 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4088 1.7410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4339 -0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1906 1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6313 2.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0846 -0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0846 1.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9907 0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9907 1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5869 3.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 1.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8983 3.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8094 3.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4273 -5.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1208 4.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0764 4.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 2.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1075 -5.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 2.3496 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 8.5000 3.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2755 2.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 3.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 4.0816 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 14.9875 5.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 4.0816 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 13.1256 -1.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0118 -1.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4901 -3.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6675 -3.8862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6701 1.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1095 -3.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8847 -2.9139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4749 -2.1387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5638 -1.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7885 -1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1983 -2.7342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 2.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4174 0.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1077 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0774 -1.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0774 2.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5264 -0.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3058 3.2134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6663 4.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 0.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2143 5.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6530 -6.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5292 -6.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5619 -5.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 1.8127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4583 2.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8680 2.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0928 3.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 3.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 2.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 4.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 4.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 4.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 4.6922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5920 5.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1255 5.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3831 5.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 3.8696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 3.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 3.7716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3100 4.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4631 4.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 6.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 6.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 16 1 0 0 0 0 3 34 1 0 0 0 0 4 22 2 0 0 0 0 5 30 1 0 0 0 0 5 42 1 0 0 0 0 6 31 2 0 0 0 0 7 33 1 0 0 0 0 7 47 1 0 0 0 0 8 34 2 0 0 0 0 9 41 1 0 0 0 0 9 49 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 50 2 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 22 1 0 0 0 0 13 31 1 0 0 0 0 13 37 1 0 0 0 0 13 71 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 23 2 0 0 0 0 17 26 1 0 0 0 0 18 22 1 0 0 0 0 18 24 1 1 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 21 63 1 1 0 0 0 23 27 1 0 0 0 0 24 31 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 30 2 0 0 0 0 25 32 1 0 0 0 0 26 28 2 0 0 0 0 26 66 1 0 0 0 0 27 29 2 0 0 0 0 27 67 1 0 0 0 0 28 29 1 0 0 0 0 28 68 1 0 0 0 0 30 33 1 0 0 0 0 32 35 2 0 0 0 0 32 69 1 0 0 0 0 33 36 2 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 35 70 1 0 0 0 0 36 72 1 0 0 0 0 37 39 1 0 0 0 0 37 41 2 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 40 2 0 0 0 0 39 76 1 0 0 0 0 40 43 1 0 0 0 0 40 44 1 0 0 0 0 41 45 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 46 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 44 45 2 0 0 0 0 44 82 1 0 0 0 0 45 83 1 0 0 0 0 46 48 1 0 0 0 0 46 84 1 0 0 0 0 46 85 1 0 0 0 0 47 86 1 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 48 50 1 0 0 0 0 48 89 1 0 0 0 0 48 90 1 0 0 0 0 49 91 1 0 0 0 0 49 92 1 0 0 0 0 49 93 1 0 0 0 0 51 94 1 0 0 0 0 51 95 1 0 0 0 0 51 96 1 0 0 0 0 M END > 70036481 > 1 > 1170 > 10 > 1 > 17 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAAwYMAABYAAAAABUAAAHgIQAAAADh7hmCYyzoPABACIAiXSWAKCCAAhJwAIiAFP7ogPJzbFs5+HMCpn9hHa6Afd2POOIABBYAAKUABAAILAABSgAAAAAAAAAA== > methyl 4-[3-[[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]-4-methoxy-phenyl]butanoate > 4-[3-[[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]-4-methoxyphenyl]butanoic acid methyl ester > methyl 4-[3-[[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]-4-methoxyphenyl]butanoate > methyl 4-[3-[[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]-4-methoxyphenyl]butanoate > methyl 4-[3-[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]-4-methoxy-phenyl]butanoate > 4-[3-[[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]-4-methoxy-phenyl]butyric acid methyl ester > InChI=1S/C38H45ClN2O10/c1-23(42)50-22-38(2,3)21-41-29-16-15-25(39)19-27(29)35(26-11-9-12-31(47-5)36(26)49-7)51-32(37(41)45)20-33(43)40-28-18-24(14-17-30(28)46-4)10-8-13-34(44)48-6/h9,11-12,14-19,32,35H,8,10,13,20-22H2,1-7H3,(H,40,43)/t32-,35-/m1/s1 > ITUNDJPPVHVHJK-FHPVIJFVSA-N > 5.3 > 724.2762733 > C38H45ClN2O10 > 725.2 > CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NC3=C(C=CC(=C3)CCCC(=O)OC)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=C(C=CC(=C3)CCCC(=O)OC)OC)C4=C(C(=CC=C4)OC)OC > 139 > 724.2762733 > 0 > 51 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 23 8 17 26 8 18 24 5 21 63 5 23 27 8 25 30 8 25 32 8 26 28 8 27 29 8 28 29 8 30 33 8 32 35 8 33 36 8 35 36 8 37 39 8 37 41 8 39 40 8 40 44 8 41 45 8 44 45 8 $$$$