59997693 -OEChem-03282416192D 121128 0 1 0 0 0 0 0999 V2000 15.1786 -2.2014 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 9.7217 -0.9857 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.3127 -0.3983 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3696 -2.7892 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.6172 -1.9802 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 16.2262 0.0085 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.5085 -0.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4301 -2.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9574 -3.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6117 -2.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9079 2.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7818 -1.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5404 -1.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1398 0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6330 -0.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6227 -1.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -4.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8539 2.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5606 -3.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 -2.9747 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.8195 0.9220 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.4316 1.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5346 -5.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2844 4.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6995 4.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6995 1.2632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4006 -4.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5715 3.6310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 -1.2529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5655 2.7632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2666 -5.8301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9317 5.3252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 0.3944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9987 -5.8301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5789 5.8604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 0.7545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1995 -1.2757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1995 -1.2757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9519 -3.4937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8905 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4519 -2.6277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6995 0.2632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6210 -4.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5346 -3.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2443 1.4097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7873 -2.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5012 2.0788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1103 1.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0452 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9024 2.8879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0404 -2.5801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3712 -3.3233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4577 -2.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 -1.9220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0349 -2.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5230 1.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8335 1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5655 1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2666 -3.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4006 -5.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8335 2.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5497 3.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2625 4.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6995 3.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1327 -4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -0.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1327 -5.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9675 3.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2188 4.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9098 5.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4810 -1.8281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8119 -1.1787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6142 -2.9737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5805 0.2123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3241 -0.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8421 -2.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2519 0.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1195 -4.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9310 -4.7738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5021 -4.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6655 1.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2301 -2.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9582 -2.6807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1110 2.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3625 1.3433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7000 2.1013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6145 -1.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5312 -2.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5013 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3781 -2.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8894 -3.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 -2.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2661 -3.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -1.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8640 -3.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5922 -2.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9972 1.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7553 1.2961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2966 1.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2666 -3.2101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1184 -4.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7413 2.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1025 3.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 -2.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6696 -4.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0455 3.2037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2775 3.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4305 3.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6575 2.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8253 4.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -1.0844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5356 -5.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9987 -6.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1854 5.7315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3874 6.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 1.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 2 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 19 2 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 7 39 1 0 0 0 0 7 43 1 0 0 0 0 8 42 1 0 0 0 0 8 45 1 0 0 0 0 40 9 1 1 0 0 0 38 10 1 6 0 0 0 11 48 1 0 0 0 0 11 51 1 0 0 0 0 12 47 1 0 0 0 0 13 52 1 0 0 0 0 13 55 1 0 0 0 0 46 14 1 1 0 0 0 15 50 1 0 0 0 0 16 56 1 0 0 0 0 53 17 1 6 0 0 0 17105 1 0 0 0 0 18 57 1 0 0 0 0 18110 1 0 0 0 0 22 59 2 0 0 0 0 23 61 2 0 0 0 0 24 64 2 0 0 0 0 25 65 2 0 0 0 0 26 68 2 0 0 0 0 43 27 1 6 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 45 28 1 1 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 51 29 1 1 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 55 30 1 6 0 0 0 30 66 1 0 0 0 0 30 68 1 0 0 0 0 31 59 1 0 0 0 0 31 65 1 0 0 0 0 31107 1 0 0 0 0 32 61 1 0 0 0 0 32 69 2 0 0 0 0 33 64 1 0 0 0 0 33 73 2 0 0 0 0 34 68 1 0 0 0 0 34 74 2 0 0 0 0 35 69 1 0 0 0 0 35116 1 0 0 0 0 35117 1 0 0 0 0 36 73 1 0 0 0 0 36118 1 0 0 0 0 36119 1 0 0 0 0 37 74 1 0 0 0 0 37120 1 0 0 0 0 37121 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 38 75 1 0 0 0 0 39 47 1 6 0 0 0 39 76 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 0 0 0 0 40 77 1 0 0 0 0 41 43 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 42 50 1 1 0 0 0 42 80 1 0 0 0 0 43 81 1 0 0 0 0 44 45 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 45 84 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 46 85 1 0 0 0 0 47 86 1 0 0 0 0 47 87 1 0 0 0 0 48 57 1 1 0 0 0 48 88 1 0 0 0 0 49 51 1 0 0 0 0 49 89 1 0 0 0 0 49 90 1 0 0 0 0 50 91 1 0 0 0 0 50 92 1 0 0 0 0 51 93 1 0 0 0 0 52 53 1 0 0 0 0 52 56 1 6 0 0 0 52 94 1 0 0 0 0 53 54 1 0 0 0 0 53 95 1 0 0 0 0 54 55 1 0 0 0 0 54 96 1 0 0 0 0 54 97 1 0 0 0 0 55 98 1 0 0 0 0 56 99 1 0 0 0 0 56100 1 0 0 0 0 57101 1 0 0 0 0 57102 1 0 0 0 0 58 62 2 0 0 0 0 58103 1 0 0 0 0 60 67 2 0 0 0 0 60104 1 0 0 0 0 62 65 1 0 0 0 0 62 70 1 0 0 0 0 63 71 2 0 0 0 0 63106 1 0 0 0 0 66 72 2 0 0 0 0 66108 1 0 0 0 0 67 69 1 0 0 0 0 67109 1 0 0 0 0 70111 1 0 0 0 0 70112 1 0 0 0 0 70113 1 0 0 0 0 71 73 1 0 0 0 0 71114 1 0 0 0 0 72 74 1 0 0 0 0 72115 1 0 0 0 0 M CHG 3 1 -1 20 -1 21 -1 M END > 59997693 > 1 > 2650 > 23 > 6 > 20 > AAADcfB//gNgAAAAAAAAAAAAAAAAASJEiQAgQIEAAAAAAAAAAAAAHgAQCCAADBThgAYDAAPABxCoQiN2dICAAAEAAgAIAAEYAFCBEAIAgQAOQAAPFyIDAMCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-oxido-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-sulfido-phosphoryl]oxymethyl]-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]oxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione > 1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxy-oxidophosphinothioyl]oxymethyl]-3-oxolanyl]oxy-sulfidophosphoryl]oxymethyl]-4-[[(2R,3R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-oxidophosphinothioyl]oxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione > 1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione > 1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfidophosphoryl]oxymethyl]-4-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione > 1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanidyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanidyl-phosphoryl]oxymethyl]-4-[[(2R,3R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphinothioyl]oxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione > 1-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-oxido-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-sulfido-phosphoryl]oxymethyl]-4-[[(2R,3R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-thiophosphoryl]oxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone > InChI=1S/C37H50N11O20P3S3/c1-17-12-48(37(55)44-33(17)51)32-11-21(68-69(56,72)59-14-23-18(50)8-29(63-23)45-5-2-26(38)41-34(45)52)25(65-32)16-61-71(58,74)67-20-10-31(47-7-4-28(40)43-36(47)54)64-24(20)15-60-70(57,73)66-19-9-30(62-22(19)13-49)46-6-3-27(39)42-35(46)53/h2-7,12,18-25,29-32,49-50H,8-11,13-16H2,1H3,(H,56,72)(H,57,73)(H,58,74)(H2,38,41,52)(H2,39,42,53)(H2,40,43,54)(H,44,51,55)/p-3/t18-,19-,20-,21-,22-,23-,24-,25-,29-,30-,31-,32-,69?,70?,71?/m1/s1 > JSFSDWDBZUCOJE-RYCXDJRQSA-K > -4.2 > 1154.13738244 > C37H47N11O20P3S3-3 > 1155.0 > CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OC3CC(OC3COP(=S)([O-])OC4CC(OC4CO)N5C=CC(=NC5=O)N)N6C=CC(=NC6=O)N)[S-])OP(=S)([O-])OCC7C(CC(O7)N8C=CC(=NC8=O)N)O > CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)COP(=O)(O[C@@H]3C[C@@H](O[C@@H]3COP(=S)([O-])O[C@@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)N6C=CC(=NC6=O)N)[S-])OP(=S)([O-])OC[C@@H]7[C@@H](C[C@@H](O7)N8C=CC(=NC8=O)N)O > 487 > 1154.13738244 > -3 > 74 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 38 10 6 46 14 5 53 17 6 43 27 6 27 58 8 27 59 8 45 28 5 28 60 8 28 61 8 51 29 5 29 63 8 29 64 8 55 30 6 30 66 8 30 68 8 31 59 8 31 65 8 32 61 8 32 69 8 33 64 8 33 73 8 34 68 8 34 74 8 39 47 6 42 50 5 48 57 5 52 56 6 58 62 8 60 67 8 62 65 8 63 71 8 66 72 8 67 69 8 71 73 8 72 74 8 40 9 5 $$$$