23724718 -OEChem-03282404492D 126129 0 1 0 0 0 0 0999 V2000 21.4481 1.1867 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 1.5884 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 0.3486 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.1980 0.5267 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 30.1170 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -1.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 -0.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 -0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0252 2.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 2.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 0.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 0.9180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4638 -0.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 -0.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 0.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 1.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8494 -1.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 1.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 -0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4538 1.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8996 1.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.6738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.2832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4695 0.0662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9152 0.4223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5296 1.3126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.3965 1.8111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.7358 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6167 1.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7301 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1384 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5027 2.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8067 1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8939 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4170 3.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -0.1052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 -0.9132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 -0.4159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -1.7232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0838 0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5232 4.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1710 1.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7152 4.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3610 0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8215 5.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8337 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7466 -0.1119 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9209 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2421 1.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4254 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6381 0.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5566 0.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7252 1.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2795 0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1923 0.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0024 0.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0471 0.9233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9757 2.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1191 0.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7347 -0.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9643 2.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1715 2.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.6002 -0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3195 0.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3538 3.4073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8841 2.7633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4591 0.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2519 0.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2414 2.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4486 1.9743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.9179 2.8453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 0.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 -1.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 -0.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -2.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7362 0.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5291 0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 0.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0900 4.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5186 1.8782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7257 1.7963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 -0.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1195 4.9661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4425 4.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.4380 5.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8873 6.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2050 5.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2444 -0.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2685 1.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4757 1.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8346 2.9203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 2.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8080 0.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4952 1.7752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6761 1.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8595 -0.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1723 -1.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 -0.8696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2905 0.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0833 0.1689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 -1.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0728 1.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2800 1.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4154 -1.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5332 -0.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6271 1.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8342 1.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2428 1.9417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8447 -0.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6376 -0.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9789 -0.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 52 1 0 0 0 0 1 61 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 13 2 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 3 17 2 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 4 20 2 0 0 0 0 5 35 2 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 40 7 1 6 0 0 0 41 8 1 6 0 0 0 8 93 1 0 0 0 0 9 45 1 0 0 0 0 10103 1 0 0 0 0 11104 1 0 0 0 0 14 52 2 0 0 0 0 15114 1 0 0 0 0 16 57 1 0 0 0 0 18 56 1 0 0 0 0 18119 1 0 0 0 0 19123 1 0 0 0 0 21 62 2 0 0 0 0 22 66 2 0 0 0 0 43 23 1 1 0 0 0 23 48 1 0 0 0 0 23 50 1 0 0 0 0 24 50 2 0 0 0 0 24 51 1 0 0 0 0 25 48 2 0 0 0 0 25 58 1 0 0 0 0 26 55 1 0 0 0 0 26 58 2 0 0 0 0 27 55 1 0 0 0 0 27115 1 0 0 0 0 27116 1 0 0 0 0 28 62 1 0 0 0 0 28 64 1 0 0 0 0 28120 1 0 0 0 0 29 63 1 0 0 0 0 29 66 1 0 0 0 0 29126 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 6 0 0 0 30 67 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 6 0 0 0 31 68 1 0 0 0 0 32 34 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 37 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 35 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 36 39 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 37 38 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 44 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 46 2 0 0 0 0 39 81 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 82 1 0 0 0 0 41 43 1 0 0 0 0 41 83 1 0 0 0 0 42 45 1 1 0 0 0 42 84 1 0 0 0 0 43 85 1 0 0 0 0 44 47 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 46 49 1 0 0 0 0 46 90 1 0 0 0 0 47 52 1 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 48 51 1 0 0 0 0 49 53 1 0 0 0 0 49 94 1 0 0 0 0 49 95 1 0 0 0 0 50 96 1 0 0 0 0 51 55 2 0 0 0 0 53 97 1 0 0 0 0 53 98 1 0 0 0 0 53 99 1 0 0 0 0 54 56 1 0 0 0 0 54 57 1 0 0 0 0 54 59 1 0 0 0 0 54 60 1 0 0 0 0 56 62 1 0 0 0 0 56100 1 0 0 0 0 57101 1 0 0 0 0 57102 1 0 0 0 0 58105 1 0 0 0 0 59106 1 0 0 0 0 59107 1 0 0 0 0 59108 1 0 0 0 0 60109 1 0 0 0 0 60110 1 0 0 0 0 60111 1 0 0 0 0 61 63 1 0 0 0 0 61112 1 0 0 0 0 61113 1 0 0 0 0 63117 1 0 0 0 0 63118 1 0 0 0 0 64 65 1 0 0 0 0 64121 1 0 0 0 0 64122 1 0 0 0 0 65 66 1 0 0 0 0 65124 1 0 0 0 0 65125 1 0 0 0 0 M END > 23724718 > 1 > 1820 > 23 > 9 > 29 > AAADcfB/vgNAAAAAAAAAAAAAAAAAAeJEAAAsAAAAAAAAAFgB+AAAHgQQCCAADxzl1waH8L/MFxioQadzdIKAgC0xELAJWKFoVBiDWBpgyUAeRAgPlgL7ACP6uMKPgAAAAAAAAAAAAAAAAAAAAAAACAAAAA== > S-[2-[3-[[4-[[[(2R,3S,4R,5R)-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] 6-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanethioate > 6-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanethioic acid S-[2-[[3-[[4-[[[(2R,3S,4R,5R)-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-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 6-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanethioate > S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 6-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanethioate > S-[2-[3-[[4-[[[(2R,3S,4R,5R)-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] 6-[(1S,2S)-3-oxidanylidene-2-[(Z)-pent-2-enyl]cyclopentyl]hexanethioate > 6-[(1S,2S)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]hexanethioic acid S-[2-[3-[[4-[[[(2R,3S,4R,5R)-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/C37H60N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,21-24,26,30-32,36,48-49H,4,6,8-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-/t23-,24-,26+,30+,31+,32?,36+/m0/s1 > VWFUYQVGVAEVNH-KPWNWRCDSA-N > -1.9 > 1015.29284026 > C37H60N7O18P3S > 1015.9 > CCC=CCC1C(CCC1=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O > CC/C=C\C[C@H]1[C@H](CCC1=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O > 406 > 1015.29284026 > 0 > 66 > 6 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 56 18 3 43 23 5 23 48 8 23 50 8 24 50 8 24 51 8 25 48 8 25 58 8 26 55 8 26 58 8 30 33 6 31 36 6 42 45 5 48 51 8 51 55 8 40 7 6 41 8 6 $$$$