71197475 -OEChem-05072413032D 83 86 0 1 0 0 0 0 0999 V2000 14.3547 0.7100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.9339 0.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3104 -1.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8200 1.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2650 3.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 0.5519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9088 -1.4376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 -0.3141 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0000 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8366 -3.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9339 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9088 0.8094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6906 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6906 0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5418 -4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7922 -3.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8810 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 1.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5846 -1.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5846 0.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4907 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0869 2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4907 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3983 2.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3094 3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6208 3.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5764 3.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7755 1.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4875 4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 0.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 2.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 2.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 0.3399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -0.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1701 0.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9174 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6077 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6256 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5118 -2.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3078 1.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9494 -4.1409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 -4.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1343 -4.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6095 -4.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 -3.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9749 -3.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0638 -2.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2886 -2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6983 -3.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5774 -1.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5774 1.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0264 -1.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8058 2.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1663 3.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7143 4.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.8209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9583 1.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3680 1.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5928 2.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0920 4.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6255 4.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8831 4.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 18 2 0 0 0 0 4 22 2 0 0 0 0 5 26 1 0 0 0 0 5 40 1 0 0 0 0 6 26 2 0 0 0 0 7 34 1 0 0 0 0 7 41 1 0 0 0 0 8 37 1 0 0 0 0 8 42 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 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 26 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 19 1 1 0 0 0 17 22 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 23 59 1 1 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 34 2 0 0 0 0 30 36 1 0 0 0 0 31 33 2 0 0 0 0 31 69 1 0 0 0 0 32 35 2 0 0 0 0 32 70 1 0 0 0 0 33 35 1 0 0 0 0 33 71 1 0 0 0 0 34 37 1 0 0 0 0 36 38 2 0 0 0 0 36 72 1 0 0 0 0 37 39 2 0 0 0 0 38 39 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 M END > 71197475 > 1 > 934 > 7 > 0 > 10 > AAADcfB/OAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIAAAAADx7hmCYyzoMABACIAiXSWAKCCAAhJwAIiAFO7ogPJzbFs5+HMCpn5hHa6Afd0fMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > methyl 2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]-4-piperidyl]acetate > 2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]-4-piperidinyl]acetic acid methyl ester > methyl 2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetate > methyl 2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetate > methyl 2-[1-[2-[(3R,5S)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoyl]piperidin-4-yl]ethanoate > 2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-1-neopentyl-5H-4,1-benzoxazepin-3-yl]acetyl]-4-piperidyl]acetic acid methyl ester > InChI=1S/C32H41ClN2O7/c1-32(2,3)19-35-24-11-10-21(33)17-23(24)29(22-8-7-9-25(39-4)30(22)41-6)42-26(31(35)38)18-27(36)34-14-12-20(13-15-34)16-28(37)40-5/h7-11,17,20,26,29H,12-16,18-19H2,1-6H3/t26-,29-/m1/s1 > ZFMXGXNWGNUNTB-GGXMVOPNSA-N > 4.8 > 600.2602293 > C32H41ClN2O7 > 601.1 > CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)CC(=O)OC)C4=C(C(=CC=C4)OC)OC > CC(C)(C)CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)OC)C4=C(C(=CC=C4)OC)OC > 94.6 > 600.2602293 > 0 > 42 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 19 5 23 59 5 24 25 8 24 31 8 25 32 8 30 34 8 30 36 8 31 33 8 32 35 8 33 35 8 34 37 8 36 38 8 37 39 8 38 39 8 $$$$