24867487 -OEChem-05042417352D 67 69 0 1 0 0 0 0 0999 V2000 6.7577 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.5997 7.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9457 6.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9495 8.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9038 9.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8755 5.6132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5520 9.8753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8755 4.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 5.8085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.3085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 5.8085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 2.8085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1377 6.8711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1861 6.5637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1394 7.8711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1889 8.1818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8816 9.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 5.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4591 4.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 4.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2446 10.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 5.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9150 11.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 5.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6906 7.1516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6238 6.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0435 8.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5767 8.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5125 6.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5154 8.2043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0791 4.8085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1582 9.7454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8637 11.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6967 10.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 6.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3750 11.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3307 12.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4550 11.9846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 4.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 4.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 6.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 6.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 2.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 2.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 3.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 3.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 3.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 4.7834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 4.7834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7577 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 67 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 15 3 1 1 0 0 0 3 42 1 0 0 0 0 17 4 1 6 0 0 0 4 43 1 0 0 0 0 5 19 2 0 0 0 0 6 37 1 0 0 0 0 6 66 1 0 0 0 0 7 37 2 0 0 0 0 16 8 1 6 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 19 1 0 0 0 0 9 24 1 0 0 0 0 9 45 1 0 0 0 0 10 21 2 0 0 0 0 10 22 1 0 0 0 0 11 20 2 0 0 0 0 11 25 1 0 0 0 0 12 23 1 0 0 0 0 12 25 2 0 0 0 0 13 25 1 0 0 0 0 13 27 1 0 0 0 0 13 48 1 0 0 0 0 14 23 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 6 0 0 0 18 41 1 0 0 0 0 20 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 34 1 0 0 0 0 31 58 1 0 0 0 0 32 35 2 0 0 0 0 32 59 1 0 0 0 0 33 36 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 M END > 24867487 > 1 > 755 > 11 > 7 > 10 > AAADceB7uAAEAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFgB/AAAHgAQCAAADBzhnwY3+L/MFgCoAyfzfAKCgC0xEKAJ2KFoVJiLeDbA2VWfZAgvtgLbiCe63eKOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 3-[4-[2-[[6-amino-9-[(2R,3R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride > 3-[4-[2-[[6-amino-9-[(2R,3R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-2-oxolanyl]-2-purinyl]amino]ethyl]phenyl]propanoic acid;hydrochloride > 3-[4-[2-[[6-amino-9-[(2R,3R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride > 3-[4-[2-[[6-amino-9-[(2R,3R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride > 3-[4-[2-[[6-azanyl-9-[(2R,3R,4R,5S)-5-(ethylcarbamoyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride > 3-[4-[2-[[6-amino-9-[(2R,3R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purin-2-yl]amino]ethyl]phenyl]propionic acid;hydrochloride > InChI=1S/C23H29N7O6.ClH/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32;/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29);1H/t16-,17-,18+,22-;/m1./s1 > QPHVMNOEKKJYJO-HSRLECSKSA-N > 535.1946094 > C23H30ClN7O6 > 536.0 > CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O.Cl > CCNC(=O)[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O.Cl > 198 > 535.1946094 > 0 > 37 > 4 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 21 8 10 22 8 11 20 8 11 25 8 12 23 8 12 25 8 18 19 6 20 22 8 22 23 8 29 31 8 29 32 8 15 3 5 30 34 8 30 35 8 31 34 8 32 35 8 17 4 6 16 8 6 8 20 8 8 21 8 $$$$