60150478 -OEChem-05122415462D 67 71 0 1 0 0 0 0 0999 V2000 5.9405 0.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7992 -2.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5065 -0.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.4471 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -0.9889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.5983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1441 3.5136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9736 -1.5370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 1.2690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 1.5797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4026 0.7717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9889 -0.0384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 1.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7679 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 1.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6808 0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 2.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 -0.9506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1427 1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1989 3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7304 2.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6964 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5494 0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7250 2.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5439 0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1317 1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 2.5469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 2.4649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1495 0.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6169 -0.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 2.9913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 1.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 1.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2992 -0.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8318 0.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2176 -0.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6973 3.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3346 4.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0373 -2.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4076 -1.2839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1850 0.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0894 3.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7961 0.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7483 1.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3652 -2.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 15 2 1 6 0 0 0 2 48 1 0 0 0 0 16 3 1 6 0 0 0 3 49 1 0 0 0 0 4 32 1 0 0 0 0 4 67 1 0 0 0 0 5 32 2 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 17 7 1 1 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 24 2 0 0 0 0 8 25 1 0 0 0 0 9 23 2 0 0 0 0 9 33 1 0 0 0 0 10 29 1 0 0 0 0 10 31 1 0 0 0 0 10 57 1 0 0 0 0 27 11 1 1 0 0 0 11 58 1 0 0 0 0 11 59 1 0 0 0 0 12 30 1 0 0 0 0 12 33 2 0 0 0 0 13 30 1 0 0 0 0 13 63 1 0 0 0 0 13 64 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 1 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 26 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 27 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 25 1 0 0 0 0 24 54 1 0 0 0 0 25 30 2 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 32 1 0 0 0 0 27 55 1 0 0 0 0 28 31 1 0 0 0 0 28 34 2 0 0 0 0 29 56 1 0 0 0 0 31 35 2 0 0 0 0 33 61 1 0 0 0 0 34 36 1 0 0 0 0 34 60 1 0 0 0 0 35 37 1 0 0 0 0 35 62 1 0 0 0 0 36 37 2 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 M END > 60150478 > 1 > 781 > 11 > 6 > 10 > AAADceB7+AAAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHgAQCAAADDzhnwY9+P/NlgCoAzb3bACCgC0xEqAJ2aG4dJiLePLA2dGfZAhvkALbyCe0kMIOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]amino]butanoic acid > (2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]butanoic acid > (2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]amino]butanoic acid > (2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]amino]butanoic acid > (2S)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-azanyl-butanoic acid > (2S)-4-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-amino-butyric acid > InChI=1S/C24H30N8O5/c25-15(24(35)36)6-8-31(7-5-13-9-27-16-4-2-1-3-14(13)16)10-17-19(33)20(34)23(37-17)32-12-30-18-21(26)28-11-29-22(18)32/h1-4,9,11-12,15,17,19-20,23,27,33-34H,5-8,10,25H2,(H,35,36)(H2,26,28,29)/t15-,17+,19+,20+,23+/m0/s1 > OIXWDGFFHFFLEE-WUASKDLJSA-N > -2 > 510.23391609 > C24H30N8O5 > 510.5 > C1=CC=C2C(=C1)C(=CN2)CCN(CCC(C(=O)O)N)CC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O > C1=CC=C2C(=C1)C(=CN2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O > 202 > 510.23391609 > 0 > 37 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 29 8 10 31 8 27 11 5 12 30 8 12 33 8 14 18 5 15 2 6 23 25 8 25 30 8 26 28 8 26 29 8 28 31 8 28 34 8 16 3 6 31 35 8 34 36 8 35 37 8 36 37 8 17 7 5 7 23 8 7 24 8 8 24 8 8 25 8 9 23 8 9 33 8 $$$$