71563020 -OEChem-05112413312D 83 86 0 1 0 0 0 0 0999 V2000 12.3923 2.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 7.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 O 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 10.6603 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 8.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 1 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 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -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 11.5263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.0000 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 5.4641 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 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 3.7320 -7.0000 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 4.5981 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.5000 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 11.5263 6.5000 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 12.3923 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 9.5000 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 12.3923 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -6.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -9.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -9.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -10.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 8.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 10.6200 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 28 1 0 0 0 0 17 4 1 6 0 0 0 4 59 1 0 0 0 0 18 5 1 6 0 0 0 5 60 1 0 0 0 0 19 6 1 1 0 0 0 6 61 1 0 0 0 0 20 7 1 1 0 0 0 7 62 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 45 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 58 1 0 0 0 0 14 34 1 0 0 0 0 14 40 1 0 0 0 0 14 69 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 48 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 29 1 0 0 0 0 24 30 2 0 0 0 0 25 27 2 0 0 0 0 25 63 1 0 0 0 0 26 28 1 0 0 0 0 26 64 1 0 0 0 0 27 31 1 0 0 0 0 27 33 1 0 0 0 0 28 31 2 0 0 0 0 29 32 2 0 0 0 0 29 65 1 0 0 0 0 30 35 1 0 0 0 0 31 66 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 67 1 0 0 0 0 36 37 2 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 37 70 1 0 0 0 0 38 39 2 0 0 0 0 38 43 1 0 0 0 0 39 71 1 0 0 0 0 40 42 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 42 75 1 0 0 0 0 42 76 1 0 0 0 0 44 46 2 0 0 0 0 45 77 1 0 0 0 0 45 78 1 0 0 0 0 45 79 1 0 0 0 0 46 47 1 0 0 0 0 46 80 1 0 0 0 0 47 49 2 0 0 0 0 47 81 1 0 0 0 0 48 49 1 0 0 0 0 48 82 1 0 0 0 0 49 83 1 0 0 0 0 M END > 71563020 > 1 > 1030 > 14 > 6 > 17 > AAADcfB/vQBEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB9AAAHwYQCAAADB7l3i6+z5LIFgioAzX3XACC2CB1L3AI2Lk/b9gPN/vlt5uHeajn1BX76cf4+e+eAGAASAIAGAAAwACQBAAwAAAAAAAAAA== > methyl 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-carboxylate > 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 methyl ester > methyl 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-carboxylate > methyl 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-carboxylate > methyl 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-carboxylate > 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 methyl ester > InChI=1S/C33H34ClFN4O9S/c1-46-28-13-27(22(34)12-24(28)39-29(42)17-49-30-5-3-4-8-36-30)48-16-26(41)32(44)31(43)25(40)15-37-21-10-19(9-20(35)11-21)23-7-6-18(14-38-23)33(45)47-2/h3-14,25-26,31-32,37,40-41,43-44H,15-17H2,1-2H3,(H,39,42)/t25-,26-,31-,32-/m1/s1 > NURPCOSFTLTEGM-QBQKZGEHSA-N > 3.5 > 716.1719057 > C33H34ClFN4O9S > 717.2 > 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)OC)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)OC)F)O)O)O)O > 218 > 716.1719057 > 0 > 49 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 33 8 15 39 8 16 44 8 16 48 8 23 25 8 23 26 8 24 29 8 24 30 8 25 27 8 26 28 8 27 31 8 28 31 8 29 32 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 46 8 46 47 8 47 49 8 48 49 8 18 5 6 19 6 5 20 7 5 $$$$