810 -OEChem-05181317552D 98100 0 1 0 0 0 0 0999 V2000 4.9334 6.9058 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.1575 -2.2745 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.9072 -1.4321 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.6221 -0.2709 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 15.9106 -4.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2603 -3.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2566 -5.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2146 -2.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0547 -1.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1522 -2.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5999 -0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6443 -0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1628 -2.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9557 -1.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7109 0.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8588 -1.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8317 0.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4125 -1.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7444 3.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1741 5.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2852 6.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1863 -6.1135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1863 -7.7229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3741 -5.9182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5080 -7.4182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3741 -8.9182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0962 2.4706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 4.7930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4503 -3.8556 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.4486 -4.8556 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.4998 -3.5449 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.4970 -5.1630 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.1924 -2.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2401 -6.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7699 -6.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2401 -7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3591 1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3814 1.3095 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3369 0.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3741 -7.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5687 2.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1495 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5080 -6.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0740 2.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7888 3.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 3.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5037 4.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2185 5.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 8.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6482 8.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 9.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9556 7.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3188 -3.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2066 -4.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6605 -3.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0970 -5.7650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8065 -2.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2151 -1.9738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8234 -5.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3899 -6.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6426 0.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9510 0.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3596 1.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5433 0.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0196 -0.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7558 -0.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1750 1.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6987 2.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9625 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5569 -0.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5158 -2.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9711 -6.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8257 -2.3457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8371 -9.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9110 -9.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1047 0.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6805 2.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 3.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8115 4.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4217 0.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1969 3.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7883 3.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1102 4.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8326 5.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2412 6.3642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0861 8.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6266 5.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 5.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2623 8.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6709 8.6866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 9.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 9.8182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7731 9.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 7.9503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 7.0746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 7.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 50 1 0 0 0 0 1 54 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 13 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 16 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 17 1 0 0 0 0 4 18 2 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 61 1 0 0 0 0 8 33 1 0 0 0 0 9 72 1 0 0 0 0 10 73 1 0 0 0 0 12 39 1 0 0 0 0 14 75 1 0 0 0 0 15 38 1 0 0 0 0 15 78 1 0 0 0 0 17 82 1 0 0 0 0 19 44 2 0 0 0 0 20 47 2 0 0 0 0 21 54 2 0 0 0 0 22 32 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 35 2 0 0 0 0 23 36 1 0 0 0 0 24 34 1 0 0 0 0 24 43 2 0 0 0 0 25 40 2 0 0 0 0 25 43 1 0 0 0 0 26 40 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 79 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 85 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 36 2 0 0 0 0 35 62 1 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 37 42 1 0 0 0 0 38 44 1 0 0 0 0 38 63 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 42 66 1 0 0 0 0 42 67 1 0 0 0 0 42 68 1 0 0 0 0 43 74 1 0 0 0 0 45 46 1 0 0 0 0 45 80 1 0 0 0 0 45 81 1 0 0 0 0 46 47 1 0 0 0 0 46 83 1 0 0 0 0 46 84 1 0 0 0 0 48 50 1 0 0 0 0 48 86 1 0 0 0 0 48 87 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 49 53 1 0 0 0 0 49 88 1 0 0 0 0 50 89 1 0 0 0 0 50 90 1 0 0 0 0 51 54 1 0 0 0 0 51 91 1 0 0 0 0 51 92 1 0 0 0 0 52 93 1 0 0 0 0 52 94 1 0 0 0 0 52 95 1 0 0 0 0 53 96 1 0 0 0 0 53 97 1 0 0 0 0 53 98 1 0 0 0 0 M END > 810 > 1 > 1450 > 22 > 9 > 22 > AAADcfB7vgNAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgQQCCAADxzl1waH8L/MFxioQQdxdIKAgC0RELABUKFoVBCDWBpgyEAeRAgPFgLzACDyMAIJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbutanethioate > 3-methylbutanethioic acid S-[2-[[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester > S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-methylbutanethioate > S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbutanethioate > 3-methylbutanethioic acid S-[2-[3-[[4-[[(5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ester > InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41) > UYVZIWWBJMYRCD-UHFFFAOYSA-N > -4.3 > 851.172724 > C26H44N7O17P3S > 851.650546 > CC(C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O > CC(C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O > 389 > 851.172724 > 0 > 54 > 0 > 5 > 0 > 0 > 0 > 1 > 12 > 1 5 255 > 22 34 8 22 35 8 23 35 8 23 36 8 24 34 8 24 43 8 25 40 8 25 43 8 29 55 3 30 56 3 31 57 3 32 58 3 34 36 8 36 40 8 38 63 3 $$$$