56846649 -OEChem-05102416582D 81 82 0 1 0 0 0 0 0999 V2000 9.6106 3.5870 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 9.1106 2.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9975 1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 0.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0524 -2.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6106 1.8549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 3.2271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7688 -2.1135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1121 -3.7163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1106 4.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6106 1.8549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3040 3.1615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2279 2.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1106 2.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6106 5.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9766 3.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2446 4.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4766 3.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7446 4.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 2.7788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1106 0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 4.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2279 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 3.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4559 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5441 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6344 -1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 -0.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9778 -2.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 -4.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 -5.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -3.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 1.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8195 3.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8426 2.8597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3088 3.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2182 3.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5280 2.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1475 5.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9206 5.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0736 5.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6666 3.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5135 3.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2866 4.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5546 5.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7076 5.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9346 4.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1666 2.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0135 2.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7866 3.6239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0546 4.6239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2076 4.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4346 3.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 2.6578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5736 0.6789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4206 0.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6475 1.2989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 4.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 4.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 4.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1809 3.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 4.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 2.6282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0314 -0.7128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9741 0.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 -1.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 4.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 4.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 3.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3425 -2.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6858 -3.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 -4.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8411 -5.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 -5.9334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0698 -5.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6308 -3.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -3.7139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1607 -4.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 3 20 1 0 0 0 0 3 26 1 0 0 0 0 4 23 2 0 0 0 0 5 32 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 31 1 0 0 0 0 7 66 1 0 0 0 0 8 29 1 0 0 0 0 8 32 1 0 0 0 0 8 73 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 74 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 1 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 22 1 6 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 24 1 1 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 25 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 67 1 0 0 0 0 28 30 2 0 0 0 0 28 68 1 0 0 0 0 29 30 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 M END > 56846649 > 1 > 712 > 5 > 3 > 9 > AAADcfB7uAgAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAWAAABAAAAHhAQAEAADTzhuAZzxoPABAGIAiVSUACCCAAlIgAIiIEObMiOJjbEtZuHOWju9hPY6ae8yCCOAEAAQAAIAAAAgACAABAAAAAAAAAAAA== > 1-[(2R,3R)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-ethyl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-isopropyl-urea > 1-[(2R,3R)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea > 1-[(2R,3R)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea > 1-[(2R,3R)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea > 1-[(2R,3R)-5-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxidanylidene-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-yl-urea > 1-[(2R,3R)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-ethyl]-6-keto-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-isopropyl-urea > InChI=1S/C26H46N4O4Si/c1-17(2)28-25(32)29-20-11-12-22-21(13-20)24(31)30(15-18(3)23(34-22)14-27-8)19(4)16-33-35(9,10)26(5,6)7/h11-13,17-19,23,27H,14-16H2,1-10H3,(H2,28,29,32)/t18-,19-,23+/m1/s1 > LYPZBGFRFKIQKY-PWHSHALESA-N > 506.32883250 > C26H46N4O4Si > 506.8 > CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)OC1CNC)C(C)CO[Si](C)(C)C(C)(C)C > C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@H]1CNC)[C@H](C)CO[Si](C)(C)C(C)(C)C > 91.9 > 506.32883250 > 0 > 35 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 21 5 12 22 6 20 24 5 25 26 8 25 27 8 26 28 8 27 29 8 28 30 8 29 30 8 $$$$