446202 -OEChem-04242415152D 61 65 0 1 0 0 0 0 0999 V2000 8.4752 1.6512 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 -0.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.1490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 0.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 2.4613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3008 0.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.3711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6770 3.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9053 3.4104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 0.3895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 1.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.4206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 0.8868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0081 2.4157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7309 2.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6756 2.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 1.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2633 3.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7318 3.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0823 1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2579 2.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0768 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6646 2.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 -0.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 1.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.8597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.6044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 1.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 0.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 2.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5733 1.4940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3662 1.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4421 2.6688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2302 3.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8675 4.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 0.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7179 0.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3393 3.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4075 3.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6223 3.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3290 0.6996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2812 2.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 17 3 1 6 0 0 0 3 44 1 0 0 0 0 18 4 1 6 0 0 0 4 45 1 0 0 0 0 5 21 1 0 0 0 0 6 31 1 0 0 0 0 7 53 1 0 0 0 0 9 31 2 0 0 0 0 19 10 1 1 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 23 2 0 0 0 0 11 24 1 0 0 0 0 12 22 2 0 0 0 0 12 29 1 0 0 0 0 13 25 1 0 0 0 0 13 29 2 0 0 0 0 14 25 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 52 1 0 0 0 0 27 16 1 1 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 1 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 31 1 0 0 0 0 27 49 1 0 0 0 0 28 30 1 0 0 0 0 28 33 2 0 0 0 0 29 50 1 0 0 0 0 30 32 1 0 0 0 0 30 34 2 0 0 0 0 32 35 2 0 0 0 0 33 51 1 0 0 0 0 34 36 1 0 0 0 0 34 56 1 0 0 0 0 35 37 1 0 0 0 0 35 59 1 0 0 0 0 36 37 2 0 0 0 0 36 60 1 0 0 0 0 37 61 1 0 0 0 0 M END > 446202 > 1 > 875 > 13 > 6 > 9 > AAADceB7vAIAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHgAQCCAADDzhnwY9+P/NlxCoQzb3bICCgC0xEqAJ2aG4dJiLePLA2dGeZAhvkALbyCf4+fKOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-amino-3-(1H-indol-3-yl)propanoate > (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] ester > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-(1H-indol-3-yl)propanoate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-(1H-indol-3-yl)propanoate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S)-2-azanyl-3-(1H-indol-3-yl)propanoate > (2S)-2-amino-3-(1H-indol-3-yl)propionic acid [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester > InChI=1S/C21H24N7O8P/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)21(31)36-37(32,33)34-7-14-16(29)17(30)20(35-14)28-9-27-15-18(23)25-8-26-19(15)28/h1-4,6,8-9,12,14,16-17,20,24,29-30H,5,7,22H2,(H,32,33)(H2,23,25,26)/t12-,14+,16+,17+,20+/m0/s1 > IFQVDHDRFCKAAW-SQIXAUHQSA-N > -4 > 533.14239775 > C21H24N7O8P > 533.4 > C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)N > C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)N > 234 > 533.14239775 > 0 > 37 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 10 5 10 22 8 10 23 8 11 23 8 11 24 8 12 22 8 12 29 8 13 25 8 13 29 8 15 32 8 15 33 8 27 16 5 20 21 5 22 24 8 24 25 8 28 30 8 28 33 8 17 3 6 30 32 8 30 34 8 32 35 8 34 36 8 35 37 8 36 37 8 18 4 6 $$$$