71562318 -OEChem-05102400162D 80 83 0 1 0 0 0 0 0999 V2000 12.3923 1.9050 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.9050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.0950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -9.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 8.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 -0.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -8.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 7.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 8.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 9.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 9.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 9.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -4.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -3.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -5.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -6.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -9.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 3.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 2.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 6.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 6.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -9.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 8.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 9.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 9.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 10.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 42 1 0 0 0 0 2 44 1 0 0 0 0 3 29 1 0 0 0 0 17 4 1 6 0 0 0 4 58 1 0 0 0 0 18 5 1 6 0 0 0 5 59 1 0 0 0 0 19 6 1 1 0 0 0 6 60 1 0 0 0 0 20 7 1 1 0 0 0 7 61 1 0 0 0 0 8 22 1 0 0 0 0 8 24 1 0 0 0 0 9 32 1 0 0 0 0 9 41 1 0 0 0 0 10 40 2 0 0 0 0 11 43 1 0 0 0 0 11 76 1 0 0 0 0 12 43 2 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 13 57 1 0 0 0 0 14 34 1 0 0 0 0 14 40 1 0 0 0 0 14 68 1 0 0 0 0 15 33 2 0 0 0 0 15 39 1 0 0 0 0 16 44 1 0 0 0 0 16 47 2 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 18 20 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 28 1 0 0 0 0 24 30 2 0 0 0 0 25 27 2 0 0 0 0 25 62 1 0 0 0 0 26 29 1 0 0 0 0 26 63 1 0 0 0 0 27 31 1 0 0 0 0 27 33 1 0 0 0 0 28 32 2 0 0 0 0 28 64 1 0 0 0 0 29 31 2 0 0 0 0 30 35 1 0 0 0 0 31 65 1 0 0 0 0 32 34 1 0 0 0 0 33 36 1 0 0 0 0 34 35 2 0 0 0 0 35 66 1 0 0 0 0 36 37 2 0 0 0 0 36 67 1 0 0 0 0 37 38 1 0 0 0 0 37 69 1 0 0 0 0 38 39 2 0 0 0 0 38 43 1 0 0 0 0 39 70 1 0 0 0 0 40 42 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 45 77 1 0 0 0 0 46 48 2 0 0 0 0 46 78 1 0 0 0 0 47 48 1 0 0 0 0 47 79 1 0 0 0 0 48 80 1 0 0 0 0 M END > 71562318 > 1 > 1010 > 14 > 7 > 16 > AAADcfB/vQBEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB9AAAHwYQCAAADB7l3i6+z5LIFgioAzX3XACC2CB1L3AI2Lk/b9gPN/vlt5uHeajn1BX7+cf4+e+eAGAASAIAGAAAwACQBAAwAAAAAAAAAA== > 6-[3-[[(2R,3R,4R,5R)-6-[2-chloro-5-methoxy-4-[[2-(2-pyridylsulfanyl)acetyl]amino]phenoxy]-2,3,4,5-tetrahydroxy-hexyl]amino]-5-fluoro-phenyl]pyridine-3-carboxylic acid > 6-[3-[[(2R,3R,4R,5R)-6-[2-chloro-5-methoxy-4-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]phenoxy]-2,3,4,5-tetrahydroxyhexyl]amino]-5-fluorophenyl]-3-pyridinecarboxylic acid > 6-[3-[[(2R,3R,4R,5R)-6-[2-chloro-5-methoxy-4-[(2-pyridin-2-ylsulfanylacetyl)amino]phenoxy]-2,3,4,5-tetrahydroxyhexyl]amino]-5-fluorophenyl]pyridine-3-carboxylic acid > 6-[3-[[(2R,3R,4R,5R)-6-[2-chloro-5-methoxy-4-[(2-pyridin-2-ylsulfanylacetyl)amino]phenoxy]-2,3,4,5-tetrahydroxyhexyl]amino]-5-fluorophenyl]pyridine-3-carboxylic acid > 6-[3-[[(2R,3R,4R,5R)-6-[2-chloranyl-5-methoxy-4-(2-pyridin-2-ylsulfanylethanoylamino)phenoxy]-2,3,4,5-tetrakis(oxidanyl)hexyl]amino]-5-fluoranyl-phenyl]pyridine-3-carboxylic acid > 6-[3-[[(2R,3R,4R,5R)-6-[2-chloro-5-methoxy-4-[[2-(2-pyridylthio)acetyl]amino]phenoxy]-2,3,4,5-tetrahydroxy-hexyl]amino]-5-fluoro-phenyl]nicotinic acid > InChI=1S/C32H32ClFN4O9S/c1-46-27-12-26(21(33)11-23(27)38-28(41)16-48-29-4-2-3-7-35-29)47-15-25(40)31(43)30(42)24(39)14-36-20-9-18(8-19(34)10-20)22-6-5-17(13-37-22)32(44)45/h2-13,24-25,30-31,36,39-40,42-43H,14-16H2,1H3,(H,38,41)(H,44,45)/t24-,25-,30-,31-/m1/s1 > PHCYPZQRXUMMPD-KWINWIPXSA-N > 3.1 > 702.1562556 > C32H32ClFN4O9S > 703.1 > COC1=CC(=C(C=C1NC(=O)CSC2=CC=CC=N2)Cl)OCC(C(C(C(CNC3=CC(=CC(=C3)C4=NC=C(C=C4)C(=O)O)F)O)O)O)O > COC1=CC(=C(C=C1NC(=O)CSC2=CC=CC=N2)Cl)OC[C@H]([C@H]([C@@H]([C@@H](CNC3=CC(=CC(=C3)C4=NC=C(C=C4)C(=O)O)F)O)O)O)O > 229 > 702.1562556 > 0 > 48 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 33 8 15 39 8 16 44 8 16 47 8 23 25 8 23 26 8 24 28 8 24 30 8 25 27 8 26 29 8 27 31 8 28 32 8 29 31 8 30 35 8 32 34 8 33 36 8 34 35 8 36 37 8 37 38 8 38 39 8 17 4 6 44 45 8 45 46 8 46 48 8 47 48 8 18 5 6 19 6 5 20 7 5 $$$$