71562319 -OEChem-04242401152D 80 83 0 1 0 0 0 0 0999 V2000 10.6603 0.1900 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -8.8100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 9.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 9.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -2.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -8.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -9.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -9.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 7.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 8.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 9.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -5.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -5.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -0.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -1.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -9.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -10.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -10.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -8.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 1.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -10.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 5.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 4.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 8.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 8.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 3 30 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 40 1 0 0 0 0 10 37 2 0 0 0 0 11 48 1 0 0 0 0 11 80 1 0 0 0 0 12 48 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 33 1 0 0 0 0 14 37 1 0 0 0 0 14 67 1 0 0 0 0 15 35 1 0 0 0 0 15 39 2 0 0 0 0 16 43 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 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 29 2 0 0 0 0 25 27 2 0 0 0 0 25 62 1 0 0 0 0 26 30 1 0 0 0 0 26 63 1 0 0 0 0 27 31 1 0 0 0 0 27 35 1 0 0 0 0 28 32 2 0 0 0 0 28 64 1 0 0 0 0 29 34 1 0 0 0 0 30 31 2 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 66 1 0 0 0 0 35 36 2 0 0 0 0 36 38 1 0 0 0 0 36 68 1 0 0 0 0 37 42 1 0 0 0 0 38 41 2 0 0 0 0 38 69 1 0 0 0 0 39 41 1 0 0 0 0 39 70 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 40 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 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 77 1 0 0 0 0 45 46 1 0 0 0 0 45 78 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 47 79 1 0 0 0 0 M END > 71562319 > 1 > 1010 > 14 > 7 > 16 > AAADcfB/vQBEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB9AAAHwYQCAAADB7l3i6+z5LIFgioAzX3XACC2CB1L3AI2Lk/b9gPN/vlt5uHeajn1BX7+cf48c4OAGAASAIAGAAAwACQBAAwAAAAAAAAAA== > 6-[2-[5-chloro-4-[(2R,3R,4R,5R)-6-[3-fluoro-5-(2-pyridyl)anilino]-2,3,4,5-tetrahydroxy-hexoxy]-2-methoxy-anilino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid > 6-[[2-[5-chloro-4-[(2R,3R,4R,5R)-6-[3-fluoro-5-(2-pyridinyl)anilino]-2,3,4,5-tetrahydroxyhexoxy]-2-methoxyanilino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid > 6-[2-[5-chloro-4-[(2R,3R,4R,5R)-6-(3-fluoro-5-pyridin-2-ylanilino)-2,3,4,5-tetrahydroxyhexoxy]-2-methoxyanilino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid > 6-[2-[5-chloro-4-[(2R,3R,4R,5R)-6-(3-fluoro-5-pyridin-2-ylanilino)-2,3,4,5-tetrahydroxyhexoxy]-2-methoxyanilino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid > 6-[2-[[5-chloranyl-4-[(2R,3R,4R,5R)-6-[(3-fluoranyl-5-pyridin-2-yl-phenyl)amino]-2,3,4,5-tetrakis(oxidanyl)hexoxy]-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid > 6-[[2-[5-chloro-4-[(2R,3R,4R,5R)-6-[3-fluoro-5-(2-pyridyl)anilino]-2,3,4,5-tetrahydroxy-hexoxy]-2-methoxy-anilino]-2-keto-ethyl]thio]nicotinic acid > InChI=1S/C32H32ClFN4O9S/c1-46-27-12-26(21(33)11-23(27)38-28(41)16-48-29-6-5-17(13-37-29)32(44)45)47-15-25(40)31(43)30(42)24(39)14-36-20-9-18(8-19(34)10-20)22-4-2-3-7-35-22/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 > ZUUMGDMAGNPFSY-KWINWIPXSA-N > 3.1 > 702.1562556 > C32H32ClFN4O9S > 703.1 > COC1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)C(=O)O)Cl)OCC(C(C(C(CNC3=CC(=CC(=C3)C4=CC=CC=N4)F)O)O)O)O > COC1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](CNC3=CC(=CC(=C3)C4=CC=CC=N4)F)O)O)O)O > 229 > 702.1562556 > 0 > 48 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 35 8 15 39 8 16 43 8 16 47 8 23 25 8 23 26 8 24 28 8 24 29 8 25 27 8 26 30 8 27 31 8 28 32 8 29 34 8 30 31 8 32 33 8 33 34 8 35 36 8 36 38 8 38 41 8 39 41 8 17 4 6 43 44 8 44 45 8 45 46 8 46 47 8 18 5 6 19 6 5 20 7 5 $$$$