null CDK 0225161911 null 41 46 0 0 0 0 0 0 0 0999 V2000 -5.9202 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0952 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6827 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6827 -1.4124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0952 -2.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9202 -2.1269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4051 -2.7943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1897 -2.5394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1897 -1.7144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4051 -1.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8571 -1.2295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8571 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6418 -0.1495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1267 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6418 -1.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9773 -2.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7978 -2.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2827 -1.6569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9472 -0.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4321 -0.2358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8571 -3.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1501 -3.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8577 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2743 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2743 -1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 0.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 11 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 19 20 1 0 0 0 0 8 21 1 1 0 0 0 7 22 1 1 0 0 0 4 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 23 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 29 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 M END > CHEBI:124919 > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol > 2 > C30H42N8O3 > 562.707 > 562.33799 > 0 > CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C > InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17?,19?,22-,25-,26-,29-/m1/s1 > LXFOLMYKSYSZQS-XKHGBIBOSA-N > LSM-36363 $$$$