56846648 -OEChem-05062404202D 94 96 0 1 0 0 0 0 0999 V2000 2.0000 6.0408 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 3.2124 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4390 2.8652 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 11.9390 1.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8259 1.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7634 -0.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 2.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 3.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8808 -3.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4390 1.1331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 2.5053 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.5972 -2.8353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9405 -4.4381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9390 3.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 2.4397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4390 1.1331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0563 2.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2086 2.0570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9390 1.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3050 2.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5730 3.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4390 4.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8050 3.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0730 4.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 2.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 3.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9390 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0563 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 -0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2086 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2843 -1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2767 1.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3725 -0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4628 -1.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 3.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 3.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 4.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 4.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 5.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8062 -3.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 5.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1495 -5.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2839 -6.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2242 -4.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6480 2.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1290 0.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6710 2.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1372 2.6717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6005 1.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0467 2.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3564 2.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9950 1.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8420 2.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6150 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8830 3.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0360 3.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2630 2.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9759 4.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7490 5.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9021 4.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4950 2.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3420 2.9212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1150 3.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3830 4.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5360 4.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7630 3.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0093 3.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2394 3.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7524 3.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 4.0597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5124 3.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4021 -0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2490 -0.2698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4759 0.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8598 -1.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6778 1.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1162 0.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8756 1.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 -0.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0072 -1.8213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1709 -3.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 3.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 5.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 4.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8335 6.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5142 -4.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0662 -4.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6695 -6.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3672 -6.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 -5.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4592 -4.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6505 -4.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9891 -5.2445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 11 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 19 1 0 0 0 0 5 18 1 0 0 0 0 5 30 1 0 0 0 0 6 28 2 0 0 0 0 9 41 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 28 1 0 0 0 0 11 25 1 0 0 0 0 11 32 1 0 0 0 0 12 34 1 0 0 0 0 12 41 1 0 0 0 0 12 82 1 0 0 0 0 13 41 1 0 0 0 0 13 43 1 0 0 0 0 13 87 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 6 0 0 0 15 46 1 0 0 0 0 16 19 1 0 0 0 0 16 27 1 1 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 25 1 1 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 31 34 2 0 0 0 0 31 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 33 35 2 0 0 0 0 33 80 1 0 0 0 0 34 35 1 0 0 0 0 35 81 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 83 1 0 0 0 0 38 40 2 0 0 0 0 38 84 1 0 0 0 0 39 42 2 0 0 0 0 39 85 1 0 0 0 0 40 42 1 0 0 0 0 40 86 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 88 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 44 91 1 0 0 0 0 45 92 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 M END > 56846648 > 1 > 1110 > 7 > 2 > 11 > AAADcfB/uAhEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAWAAABQAAAHhYQQEAADT7h+CZzx4PABAOIAiVSUHDCCBAlJwAIiJkObsiOJjbFt5uHOWju9hPY6ae8yCCOAEIAQAAIAAAAhACAABAAAAAAAAAAAA== > 1-[(2R,3R)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-ethyl]-2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-3-methyl-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]-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-3-methyl-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]-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-3-methyl-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]-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-3-methyl-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]-2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-3-methyl-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]-2-[[(4-chlorophenyl)sulfonyl-methyl-amino]methyl]-6-keto-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-isopropyl-urea > InChI=1S/C32H49ClN4O6SSi/c1-21(2)34-31(39)35-25-13-16-28-27(17-25)30(38)37(23(4)20-42-45(9,10)32(5,6)7)18-22(3)29(43-28)19-36(8)44(40,41)26-14-11-24(33)12-15-26/h11-17,21-23,29H,18-20H2,1-10H3,(H2,34,35,39)/t22-,23-,29+/m1/s1 > QKYWKUKAQPNVQF-SGQNLQFHSA-N > 680.2830607 > C32H49ClN4O6SSi > 681.4 > CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)OC1CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl)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]1CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO[Si](C)(C)C(C)(C)C > 126 > 680.2830607 > 0 > 45 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 26 6 16 27 5 18 25 5 29 30 8 29 31 8 30 33 8 31 34 8 33 35 8 34 35 8 36 37 8 36 38 8 37 39 8 38 40 8 39 42 8 40 42 8 $$$$