70691810 -OEChem-05062421162D 67 71 0 1 0 0 0 0 0999 V2000 5.9405 0.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7992 -2.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5065 -0.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.6026 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -0.8334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9736 -1.3815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7226 1.9573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 1.4245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 1.7352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4026 0.9272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9889 0.1171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7679 0.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6808 0.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 -0.7951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1980 2.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 1.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0952 3.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6964 -1.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4189 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9053 3.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8181 3.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4130 1.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1495 0.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6169 0.0066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 2.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 2.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2992 0.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8318 0.8009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 1.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 1.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2176 -0.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5293 3.6149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0373 -1.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4076 -1.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0545 0.5120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8415 4.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3203 3.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3129 2.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7765 0.5105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3652 -2.4513 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 22 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 22 2 0 0 0 0 9 33 1 0 0 0 0 26 10 1 1 0 0 0 10 57 1 0 0 0 0 10 58 1 0 0 0 0 11 29 1 0 0 0 0 11 33 2 0 0 0 0 12 31 1 0 0 0 0 12 37 1 0 0 0 0 12 63 1 0 0 0 0 13 29 1 0 0 0 0 13 65 1 0 0 0 0 13 66 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 23 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 25 1 0 0 0 0 23 27 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 25 29 2 0 0 0 0 26 32 1 0 0 0 0 26 55 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 28 34 1 0 0 0 0 30 35 2 0 0 0 0 30 56 1 0 0 0 0 31 36 2 0 0 0 0 33 59 1 0 0 0 0 34 37 2 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 37 64 1 0 0 0 0 M END > 70691810 > 1 > 781 > 11 > 6 > 10 > AAADceB7+AAAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHgAQCAAADDzhnwY9+P/NlgCoAzb3bACCgC0xEqAJ2aG4dJiLePLA2dGfZAhvkALbyCe0kIIOgAAAQAASAAAAAACAACQAAAAAAAAAAA== > (2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-[2-(1H-indol-4-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-4-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-4-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-4-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-4-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-4-yl)ethyl]amino]-2-amino-butyric acid > InChI=1S/C24H30N8O5/c25-15(24(35)36)6-9-31(8-5-13-2-1-3-16-14(13)4-7-27-16)10-17-19(33)20(34)23(37-17)32-12-30-18-21(26)28-11-29-22(18)32/h1-4,7,11-12,15,17,19-20,23,27,33-34H,5-6,8-10,25H2,(H,35,36)(H2,26,28,29)/t15-,17+,19+,20+,23+/m0/s1 > TYTSCDAWXBZJKA-WUASKDLJSA-N > -2 > 510.23391609 > C24H30N8O5 > 510.5 > C1=CC(=C2C=CNC2=C1)CCN(CCC(C(=O)O)N)CC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O > C1=CC(=C2C=CNC2=C1)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 > 26 10 5 11 29 8 11 33 8 12 31 8 12 37 8 14 18 5 15 2 6 22 25 8 25 29 8 27 28 8 27 30 8 28 31 8 28 34 8 16 3 6 30 35 8 31 36 8 34 37 8 35 36 8 17 7 5 7 22 8 7 24 8 8 24 8 8 25 8 9 22 8 9 33 8 $$$$