71197479 -OEChem-05092421422D 87 90 0 1 0 0 0 0 0999 V2000 15.6647 0.7100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 2.2840 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 11.2439 0.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6204 -1.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1300 1.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5750 3.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 0.5519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2188 -1.4376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.4179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8100 -0.3141 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8100 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1466 -3.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4413 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2439 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2188 0.8094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0006 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0006 0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8518 -4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1022 -3.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1910 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4413 1.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8946 -1.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8946 0.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8007 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3969 2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8007 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7083 2.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6194 3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9308 3.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8864 3.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0855 1.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7975 4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9177 2.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2274 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2274 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9177 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3926 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7023 2.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7023 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3926 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 0.3399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4177 -0.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4801 0.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2274 -0.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9356 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8218 -2.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6178 1.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2594 -4.1409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6691 -4.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4443 -4.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9195 -4.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6947 -3.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2849 -3.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3738 -2.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5985 -2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0083 -3.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8874 -1.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8874 1.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3364 -1.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1158 2.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 0.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 0.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4763 3.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0243 4.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2683 1.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6780 1.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9028 2.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4020 4.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9355 4.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1931 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 9 81 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 82 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 45 87 1 0 0 0 0 M END > 71197479 > 1 > 1070 > 9 > 1 > 10 > AAADcfB/PABEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgIASAAADx7hmCYyxoMABICIAiVSUCKCCAAhJwAIiAFO7ogPJzbFs5+HMCpn5hHa6Afd0fMOAABBIAAKQAAAAIJAABSAAAAAAAAAAA== > (3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-3-[2-[4-[2-[methyl(sulfino)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(sulfino)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(sulfino)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(sulfino)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(sulfino)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(sulfino)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)/t26-,29-/m1/s1 > RFPGYIXMEVUPIP-GGXMVOPNSA-N > 4.5 > 663.2381142 > C32H42ClN3O8S > 664.2 > 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 > 145 > 663.2381142 > 0 > 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 $$$$