71562088 -OEChem-05102422302D 79 82 0 0 0 0 0 0 0999 V2000 10.6603 2.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 7.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -8.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 8.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -11.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 11.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -8.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 8.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 38 1 0 0 0 0 2 43 1 0 0 0 0 3 34 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 5 22 1 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 7 27 1 0 0 0 0 7 41 1 0 0 0 0 8 36 2 0 0 0 0 9 42 1 0 0 0 0 9 78 1 0 0 0 0 10 42 2 0 0 0 0 11 48 1 0 0 0 0 11 79 1 0 0 0 0 12 48 2 0 0 0 0 13 24 1 0 0 0 0 13 36 1 0 0 0 0 13 66 1 0 0 0 0 14 33 2 0 0 0 0 14 40 1 0 0 0 0 15 43 2 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 21 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 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 25 1 0 0 0 0 22 29 2 0 0 0 0 23 28 1 0 0 0 0 23 31 2 0 0 0 0 24 27 1 0 0 0 0 24 30 2 0 0 0 0 25 27 2 0 0 0 0 25 61 1 0 0 0 0 26 28 2 0 0 0 0 26 32 1 0 0 0 0 26 33 1 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 30 63 1 0 0 0 0 31 34 1 0 0 0 0 31 64 1 0 0 0 0 32 34 2 0 0 0 0 32 65 1 0 0 0 0 33 35 1 0 0 0 0 35 37 2 0 0 0 0 35 67 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 39 40 2 0 0 0 0 39 42 1 0 0 0 0 40 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 75 1 0 0 0 0 45 46 1 0 0 0 0 45 76 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 47 77 1 0 0 0 0 M END > 71562088 > 1 > 1020 > 13 > 3 > 18 > AAADceB/PQBEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB9AAAHwYQCAAADA7l3i6+z5LIFgioAzX3XACC2CB1L3AI2Dk/b9gOJ/vlt5uHeajn1BX4+ce4+f+eAGABCAIAGAAAwAIQBAAwAAAAAAAAAA== > 6-[3-[3-[3-[4-[[2-[(5-carboxy-2-pyridyl)sulfanyl]acetyl]amino]-2-chloro-5-methoxy-phenoxy]propoxy]propoxy]-5-fluoro-phenyl]pyridine-3-carboxylic acid > 6-[3-[3-[3-[4-[[2-[(5-carboxy-2-pyridinyl)thio]-1-oxoethyl]amino]-2-chloro-5-methoxyphenoxy]propoxy]propoxy]-5-fluorophenyl]-3-pyridinecarboxylic acid > 6-[3-[3-[3-[4-[[2-(5-carboxypyridin-2-yl)sulfanylacetyl]amino]-2-chloro-5-methoxyphenoxy]propoxy]propoxy]-5-fluorophenyl]pyridine-3-carboxylic acid > 6-[3-[3-[3-[4-[[2-(5-carboxypyridin-2-yl)sulfanylacetyl]amino]-2-chloro-5-methoxyphenoxy]propoxy]propoxy]-5-fluorophenyl]pyridine-3-carboxylic acid > 6-[3-[3-[3-[4-[2-(5-carboxypyridin-2-yl)sulfanylethanoylamino]-2-chloranyl-5-methoxy-phenoxy]propoxy]propoxy]-5-fluoranyl-phenyl]pyridine-3-carboxylic acid > 6-[3-[3-[3-[4-[[2-[(5-carboxy-2-pyridyl)thio]acetyl]amino]-2-chloro-5-methoxy-phenoxy]propoxy]propoxy]-5-fluoro-phenyl]nicotinic acid > InChI=1S/C33H31ClFN3O9S/c1-44-29-16-28(25(34)15-27(29)38-30(39)19-48-31-7-5-21(18-37-31)33(42)43)47-11-3-9-45-8-2-10-46-24-13-22(12-23(35)14-24)26-6-4-20(17-36-26)32(40)41/h4-7,12-18H,2-3,8-11,19H2,1H3,(H,38,39)(H,40,41)(H,42,43) > RURQJJOUTTZWRV-UHFFFAOYSA-N > 5.1 > 699.1453566 > C33H31ClFN3O9S > 700.1 > COC1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)C(=O)O)Cl)OCCCOCCCOC3=CC(=CC(=C3)C4=NC=C(C=C4)C(=O)O)F > COC1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)C(=O)O)Cl)OCCCOCCCOC3=CC(=CC(=C3)C4=NC=C(C=C4)C(=O)O)F > 192 > 699.1453566 > 0 > 48 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 33 8 14 40 8 15 43 8 15 47 8 22 25 8 22 29 8 23 28 8 23 31 8 24 27 8 24 30 8 25 27 8 26 28 8 26 32 8 29 30 8 31 34 8 32 34 8 33 35 8 35 37 8 37 39 8 39 40 8 43 44 8 44 45 8 45 46 8 46 47 8 $$$$