71562207 -OEChem-04252413312D 76 79 0 0 0 0 0 0 0999 V2000 8.9282 0.8450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.8450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.1550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -10.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -9.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 10.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 10.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -9.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -9.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -9.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -8.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -9.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 8.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 8.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 8.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 9.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -5.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -4.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -6.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -9.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 5.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 5.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -10.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 2.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 7.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 8.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 8.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -10.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 10.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 37 1 0 0 0 0 2 42 1 0 0 0 0 3 34 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 27 1 0 0 0 0 5 29 1 0 0 0 0 6 23 1 0 0 0 0 6 40 1 0 0 0 0 7 24 2 0 0 0 0 8 35 2 0 0 0 0 9 43 1 0 0 0 0 9 75 1 0 0 0 0 10 43 2 0 0 0 0 11 48 1 0 0 0 0 11 76 1 0 0 0 0 12 48 2 0 0 0 0 13 18 1 0 0 0 0 13 24 1 0 0 0 0 13 55 1 0 0 0 0 14 21 1 0 0 0 0 14 35 1 0 0 0 0 14 60 1 0 0 0 0 15 31 2 0 0 0 0 15 41 1 0 0 0 0 16 42 2 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 19 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 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 25 2 0 0 0 0 21 23 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 56 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 33 2 0 0 0 0 30 61 1 0 0 0 0 31 36 1 0 0 0 0 32 34 2 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 35 37 1 0 0 0 0 36 38 2 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 38 39 1 0 0 0 0 38 67 1 0 0 0 0 39 41 2 0 0 0 0 39 43 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 44 72 1 0 0 0 0 45 46 1 0 0 0 0 45 73 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 47 74 1 0 0 0 0 M END > 71562207 > 1 > 1080 > 13 > 4 > 16 > AAADceB/vQBEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB9AAAHwYQCAAADA7l3i6+z5LIFgioAzX3XAKC2CB1L3AI2Ll/b9gOJ/vlt5+Heajn1hX4+ce4+f+eAGABCAIAGAAAwAIQBAAwAAAAAAAAAA== > 6-[3-[2-[3-[4-[[2-[(5-carboxy-2-pyridyl)sulfanyl]acetyl]amino]-2-chloro-5-methoxy-phenoxy]propylamino]-2-oxo-ethoxy]-5-fluoro-phenyl]pyridine-3-carboxylic acid > 6-[3-[2-[3-[4-[[2-[(5-carboxy-2-pyridinyl)thio]-1-oxoethyl]amino]-2-chloro-5-methoxyphenoxy]propylamino]-2-oxoethoxy]-5-fluorophenyl]-3-pyridinecarboxylic acid > 6-[3-[2-[3-[4-[[2-(5-carboxypyridin-2-yl)sulfanylacetyl]amino]-2-chloro-5-methoxyphenoxy]propylamino]-2-oxoethoxy]-5-fluorophenyl]pyridine-3-carboxylic acid > 6-[3-[2-[3-[4-[[2-(5-carboxypyridin-2-yl)sulfanylacetyl]amino]-2-chloro-5-methoxyphenoxy]propylamino]-2-oxoethoxy]-5-fluorophenyl]pyridine-3-carboxylic acid > 6-[3-[2-[3-[4-[2-(5-carboxypyridin-2-yl)sulfanylethanoylamino]-2-chloranyl-5-methoxy-phenoxy]propylamino]-2-oxidanylidene-ethoxy]-5-fluoranyl-phenyl]pyridine-3-carboxylic acid > 6-[3-[2-[3-[4-[[2-[(5-carboxy-2-pyridyl)thio]acetyl]amino]-2-chloro-5-methoxy-phenoxy]propylamino]-2-keto-ethoxy]-5-fluoro-phenyl]nicotinic acid > InChI=1S/C32H28ClFN4O9S/c1-45-27-13-26(23(33)12-25(27)38-29(40)17-48-30-6-4-19(15-37-30)32(43)44)46-8-2-7-35-28(39)16-47-22-10-20(9-21(34)11-22)24-5-3-18(14-36-24)31(41)42/h3-6,9-15H,2,7-8,16-17H2,1H3,(H,35,39)(H,38,40)(H,41,42)(H,43,44) > XXBJIIDGACBXLZ-UHFFFAOYSA-N > 4.3 > 698.1249555 > C32H28ClFN4O9S > 699.1 > COC1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)C(=O)O)Cl)OCCCNC(=O)COC3=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)OCCCNC(=O)COC3=CC(=CC(=C3)C4=NC=C(C=C4)C(=O)O)F > 212 > 698.1249555 > 0 > 48 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 31 8 15 41 8 16 42 8 16 47 8 20 22 8 20 25 8 21 23 8 21 26 8 22 23 8 25 26 8 28 30 8 28 32 8 29 30 8 29 33 8 31 36 8 32 34 8 33 34 8 36 38 8 38 39 8 39 41 8 42 44 8 44 45 8 45 46 8 46 47 8 $$$$