70687149 -OEChem-04262401492D 68 72 0 1 0 0 0 0 0999 V2000 8.4752 0.4213 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -1.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 0.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 -0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 -0.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 -0.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 1.2313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3008 -0.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2137 -0.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.6010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.2105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 1.0077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 0.7774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2477 3.2589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0394 -1.6203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -0.0325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 -0.8405 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 -0.3431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -1.6505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0081 1.1858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -4.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9053 2.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7153 2.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 0.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7162 3.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6683 4.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6599 2.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9753 4.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8796 5.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0237 -0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1866 5.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1387 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9366 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 0.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -0.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 -0.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -2.0897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 0.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 0.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 1.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 -0.3013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0718 0.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6344 2.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3090 2.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2215 1.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4231 1.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8495 1.8669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8677 3.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3850 4.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4699 5.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7273 5.8265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2697 6.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5550 -0.6699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0876 -0.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6053 -1.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5371 -1.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 13 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 19 3 1 6 0 0 0 3 48 1 0 0 0 0 20 4 1 6 0 0 0 4 49 1 0 0 0 0 5 23 1 0 0 0 0 8 31 2 0 0 0 0 9 38 2 0 0 0 0 22 10 1 1 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 25 2 0 0 0 0 11 26 1 0 0 0 0 12 24 2 0 0 0 0 12 33 1 0 0 0 0 13 31 1 0 0 0 0 13 54 1 0 0 0 0 14 28 1 0 0 0 0 14 33 2 0 0 0 0 27 15 1 6 0 0 0 15 38 1 0 0 0 0 15 56 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 58 1 0 0 0 0 17 28 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 41 1 0 0 0 0 18 67 1 0 0 0 0 18 68 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 23 1 1 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 26 1 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 27 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 35 2 0 0 0 0 32 34 1 0 0 0 0 32 36 2 0 0 0 0 33 55 1 0 0 0 0 34 37 2 0 0 0 0 35 57 1 0 0 0 0 36 39 1 0 0 0 0 36 61 1 0 0 0 0 37 40 1 0 0 0 0 37 62 1 0 0 0 0 38 41 1 0 0 0 0 39 40 2 0 0 0 0 39 63 1 0 0 0 0 40 64 1 0 0 0 0 41 65 1 0 0 0 0 41 66 1 0 0 0 0 M END > 70687149 > 1 > 1050 > 13 > 7 > 10 > AAADceB7/ABAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHgAQSAAADDzhnwY98P/NlgCoAzd3dDCCgC0xEqAJ2aG4dJiLePLA2fGeZAhvlgLbyCf4ucKOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl N-[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]sulfamate > N-[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]sulfamic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]sulfamate > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]sulfamate > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2S)-2-(2-azanylethanoylamino)-3-(1H-indol-3-yl)propanoyl]sulfamate > N-[(2S)-2-(glycylamino)-3-(1H-indol-3-yl)propanoyl]sulfamic acid [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester > InChI=1S/C23H27N9O8S/c24-6-16(33)30-14(5-11-7-26-13-4-2-1-3-12(11)13)22(36)31-41(37,38)39-8-15-18(34)19(35)23(40-15)32-10-29-17-20(25)27-9-28-21(17)32/h1-4,7,9-10,14-15,18-19,23,26,34-35H,5-6,8,24H2,(H,30,33)(H,31,36)(H2,25,27,28)/t14-,15+,18+,19+,23+/m0/s1 > UZWDEUWPVJBZGA-HPWZINAISA-N > -2.3 > 589.17033003 > C23H27N9O8S > 589.6 > C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NS(=O)(=O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)NC(=O)CN > C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)NC(=O)CN > 271 > 589.17033003 > 0 > 41 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 22 10 5 10 24 8 10 25 8 11 25 8 11 26 8 12 24 8 12 33 8 14 28 8 14 33 8 27 15 6 16 34 8 16 35 8 21 23 5 24 26 8 26 28 8 19 3 6 30 32 8 30 35 8 32 34 8 32 36 8 34 37 8 36 39 8 37 40 8 39 40 8 20 4 6 $$$$