69033755 -OEChem-05112400282D 74 79 0 1 0 0 0 0 0999 V2000 16.3945 -3.2323 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.6740 -3.6965 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -0.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6391 0.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 0.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6881 -4.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2174 2.9963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2854 0.1447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5859 -1.3168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9962 -2.6215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5799 -1.8168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6937 -4.6911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5961 1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9282 1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5746 1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2389 2.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8852 2.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5281 3.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -1.0580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3612 -2.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3271 -2.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5066 4.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8602 4.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3069 -0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9962 -1.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 -0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3180 -1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -2.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 -0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3180 -2.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 -2.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3069 -3.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2854 -3.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0274 -3.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8943 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8071 -3.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0133 -2.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0077 -2.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4160 -3.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0101 0.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3813 2.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5457 1.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5951 0.6818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1884 1.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2183 3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6251 2.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4322 1.9599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2678 2.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7207 4.5361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6995 -0.3168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0053 -1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7623 -1.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2007 -2.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1666 -2.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 -2.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6344 3.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1132 4.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3787 4.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3217 5.1052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4462 5.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3988 4.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 -0.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 -2.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 -3.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6931 -3.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2863 -4.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9615 -2.4913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5977 -1.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3168 -1.5758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 43 1 0 0 0 0 2 40 1 0 0 0 0 2 43 1 0 0 0 0 21 3 1 6 0 0 0 3 36 1 0 0 0 0 4 26 2 0 0 0 0 5 28 2 0 0 0 0 6 36 1 0 0 0 0 6 72 1 0 0 0 0 7 36 2 0 0 0 0 8 14 1 0 0 0 0 8 39 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 10 54 1 0 0 0 0 11 21 1 0 0 0 0 11 23 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 35 1 0 0 0 0 13 27 2 0 0 0 0 14 37 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 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 24 1 0 0 0 0 20 25 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 32 66 1 0 0 0 0 33 34 2 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 35 37 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 71 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 41 73 1 0 0 0 0 42 43 2 0 0 0 0 42 74 1 0 0 0 0 M END > 69033755 > 1 > 1040 > 10 > 2 > 9 > AAADceB7uABEAAAAAAAAAAAAAABYAWLEgAA8QAAAAAAAAFgB/gAAHgYcCAAADC7h3iYyzfPYBgivA6VyXgCTBIAnrxB42Lm+btoYZrrh19OUtYhm3hnsyce8icCeCAACAAACAAAQAAQAAAQAAAAAAAAAAA== > [(2S)-1-[1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-3-[(1-isopropyl-4-piperidyl)carbamoyl]indazole-5-carbonyl]azetidin-2-yl] hydrogen carbonate > carbonic acid [(2S)-1-[[1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-3-[oxo-[(1-propan-2-yl-4-piperidinyl)amino]methyl]-5-indazolyl]-oxomethyl]-2-azetidinyl] ester > [(2S)-1-[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carbonyl]azetidin-2-yl] hydrogen carbonate > [(2S)-1-[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazole-5-carbonyl]azetidin-2-yl] hydrogen carbonate > [(2S)-1-[1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indazol-5-yl]carbonylazetidin-2-yl] hydrogen carbonate > carbonic acid [(2S)-1-[1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-3-[(1-isopropyl-4-piperidyl)carbamoyl]indazole-5-carbonyl]azetidin-2-yl] ester > InChI=1S/C29H31ClN6O6S/c1-16(2)34-10-7-18(8-11-34)31-27(37)26-20-13-17(28(38)35-12-9-25(35)41-29(39)40)3-4-21(20)36(32-26)15-19-14-22(42-33-19)23-5-6-24(30)43-23/h3-6,13-14,16,18,25H,7-12,15H2,1-2H3,(H,31,37)(H,39,40)/t25-/m0/s1 > RSCBGTBGBAJHLZ-VWLOTQADSA-N > 2.4 > 626.1714316 > C29H31ClN6O6S > 627.1 > CC(C)N1CCC(CC1)NC(=O)C2=NN(C3=C2C=C(C=C3)C(=O)N4CCC4OC(=O)O)CC5=NOC(=C5)C6=CC=C(S6)Cl > CC(C)N1CCC(CC1)NC(=O)C2=NN(C3=C2C=C(C=C3)C(=O)N4CC[C@@H]4OC(=O)O)CC5=NOC(=C5)C6=CC=C(S6)Cl > 171 > 626.1714316 > 0 > 43 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 8 12 31 8 13 27 8 14 37 8 2 40 8 2 43 8 27 29 8 29 31 8 29 32 8 21 3 6 30 32 8 30 33 8 31 34 8 33 34 8 37 38 8 38 39 8 40 41 8 41 42 8 42 43 8 8 14 8 8 39 8 $$$$