71197478 -OEChem-04262406112D 86 89 0 1 0 0 0 0 0999 V2000 15.3547 0.7100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.2840 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 10.9339 0.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3104 -1.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8200 1.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2650 3.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2840 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5000 3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 0.5519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9088 -1.4376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.4179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.5519 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 7.5000 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.3141 0.0000 C 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 9.0000 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.3141 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5000 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8366 -3.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1313 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9339 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9088 0.8094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6906 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6906 0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5418 -4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7922 -3.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8810 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1313 1.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5846 -1.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5846 0.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4907 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0869 2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4907 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3983 2.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3094 3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6208 3.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5764 3.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7755 1.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4875 4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 0.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 2.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9174 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9174 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0826 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3923 2.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3923 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0826 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 0.3399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -0.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1701 0.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6077 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5118 -2.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3078 1.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9494 -4.1409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3591 -4.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1343 -4.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6095 -4.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3847 -3.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9749 -3.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0638 -2.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2885 -2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6983 -3.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5774 -1.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5774 1.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0264 -1.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8058 2.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 0.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 0.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 0.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1663 3.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7143 4.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9583 1.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3680 1.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5928 2.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0920 4.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6255 4.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8831 4.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 13 1 0 0 0 0 3 21 1 0 0 0 0 3 26 1 0 0 0 0 4 20 2 0 0 0 0 5 25 2 0 0 0 0 6 28 2 0 0 0 0 7 37 1 0 0 0 0 7 44 1 0 0 0 0 8 41 1 0 0 0 0 8 45 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 40 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 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 28 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 1 0 0 0 21 25 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 26 29 1 0 0 0 0 26 33 1 0 0 0 0 26 62 1 1 0 0 0 27 29 2 0 0 0 0 27 34 1 0 0 0 0 29 35 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 37 2 0 0 0 0 33 39 1 0 0 0 0 34 36 2 0 0 0 0 34 72 1 0 0 0 0 35 38 2 0 0 0 0 35 73 1 0 0 0 0 36 38 1 0 0 0 0 36 74 1 0 0 0 0 37 41 1 0 0 0 0 39 42 2 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 43 2 0 0 0 0 42 43 1 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 M CHG 1 9 -1 M END > 71197478 > 1 > 1060 > 9 > 0 > 9 > AAADcfB/PABEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIAQAAADx7hmCYyxoMABACIAiVSUCKCCAAhJwAIiAFO7ogPJzbFs5+HMCpn5hHa6Afd0fMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > (3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-3-[2-[4-[2-[methyl(sulfinato)amino]-2-oxo-ethyl]-1-piperidyl]-2-oxo-ethyl]-2-oxo-5H-4,1-benzoxazepine > (3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-3-[2-[4-[2-[methyl(sulfinato)amino]-2-oxoethyl]-1-piperidinyl]-2-oxoethyl]-2-oxo-5H-4,1-benzoxazepine > (3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-3-[2-[4-[2-[methyl(sulfinato)amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-5H-4,1-benzoxazepine > (3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-3-[2-[4-[2-[methyl(sulfinato)amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-5H-4,1-benzoxazepine > (3R,5S)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-3-[2-[4-[2-[methyl(sulfinato)amino]-2-oxidanylidene-ethyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanylidene-5H-4,1-benzoxazepine > (3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-3-[2-keto-2-[4-[2-keto-2-[methyl(sulfinato)amino]ethyl]piperidino]ethyl]-1-neopentyl-5H-4,1-benzoxazepine > InChI=1S/C32H42ClN3O8S/c1-32(2,3)19-36-24-11-10-21(33)17-23(24)29(22-8-7-9-25(42-5)30(22)43-6)44-26(31(36)39)18-28(38)35-14-12-20(13-15-35)16-27(37)34(4)45(40)41/h7-11,17,20,26,29H,12-16,18-19H2,1-6H3,(H,40,41)/p-1/t26-,29-/m1/s1 > RFPGYIXMEVUPIP-GGXMVOPNSA-M > 3.4 > 662.2302891 > C32H41ClN3O8S- > 663.2 > CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)N3CCC(CC3)CC(=O)N(C)S(=O)[O-])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)N(C)S(=O)[O-])C4=C(C(=CC=C4)OC)OC > 148 > 662.2302891 > -1 > 45 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 22 5 26 62 5 27 29 8 27 34 8 29 35 8 33 37 8 33 39 8 34 36 8 35 38 8 36 38 8 37 41 8 39 42 8 41 43 8 42 43 8 $$$$