45006127 -OEChem-04192418172D 88 88 0 1 0 0 0 0 0999 V2000 11.7561 4.0860 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7560 7.8180 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 7.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 6.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 7.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 9.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 9.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6221 4.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8900 3.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6221 8.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8900 7.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2561 4.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2561 3.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2560 8.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2560 6.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 6.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8521 4.0011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 10.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 4.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 0.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 6.8671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2181 6.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4860 6.3671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4860 5.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3520 4.8671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2181 5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 8.3671 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6200 9.8671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4860 9.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7540 9.3671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7540 8.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 4.0010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9501 6.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 4.0010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6200 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 6.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 11.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1201 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 7.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 6.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 6.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 4.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9137 4.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4301 4.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8287 5.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 7.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 10.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 9.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 7.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1434 8.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5419 7.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5421 3.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8101 4.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 6.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5516 5.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3487 5.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 10.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 10.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 9.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 11.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 9.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 8.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 3.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 2.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1262 6.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 7.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 7.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 10.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 11.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 11.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 5.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 1.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1590 4.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3531 3.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1590 8.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3531 7.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 14 2 0 0 0 0 1 15 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 16 2 0 0 0 0 2 17 2 0 0 0 0 23 3 1 1 0 0 0 3 29 1 0 0 0 0 26 4 1 1 0 0 0 34 4 1 1 0 0 0 25 5 1 6 0 0 0 5 60 1 0 0 0 0 6 29 1 0 0 0 0 6 33 1 0 0 0 0 31 7 1 1 0 0 0 7 68 1 0 0 0 0 32 8 1 6 0 0 0 8 69 1 0 0 0 0 9 34 1 0 0 0 0 9 41 1 0 0 0 0 10 85 1 0 0 0 0 11 86 1 0 0 0 0 12 87 1 0 0 0 0 13 88 1 0 0 0 0 24 18 1 6 0 0 0 18 35 1 0 0 0 0 18 54 1 0 0 0 0 27 19 1 6 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 30 20 1 6 0 0 0 20 40 1 0 0 0 0 20 66 1 0 0 0 0 37 21 1 1 0 0 0 21 79 1 0 0 0 0 21 80 1 0 0 0 0 22 43 1 0 0 0 0 22 83 1 0 0 0 0 22 84 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 24 28 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 37 1 0 0 0 0 34 59 1 0 0 0 0 35 39 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 67 1 0 0 0 0 38 42 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 42 78 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 M END > 45006127 > 1 > 754 > 20 > 12 > 8 > AAADcfB7vABgAAAAAAAAAAAAAAAAAAAAAAA0QIAAAAAAAAAAAAAAHgAQCAAADHzxgAcCCALABoCAACBCADCACAAgIAAACIAIAAgTEAIAwQAnQAAHkACfAAPwcA8MAAAAAAAAAAAAgAAUCACgAAAAAAAAAA== > (3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol;sulfuric acid > (3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid > (3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid > (3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid > (3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-3-[[(2S,3R)-6-(aminomethyl)-3-azanyl-3,4-dihydro-2H-pyran-2-yl]oxy]-4-azanyl-6-(ethylamino)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid > (3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol;sulfuric acid > InChI=1S/C21H41N5O7.2H2O4S/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20;2*1-5(2,3)4/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3;2*(H2,1,2,3,4)/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20?,21+;;/m1../s1 > LOKMIGZKRZJVNT-TYGKOLSASA-N > 671.23535809 > C21H45N5O15S2 > 671.7 > CCNC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N.OS(=O)(=O)O.OS(=O)(=O)O > CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1OC2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N.OS(=O)(=O)O.OS(=O)(=O)O > 366 > 671.23535809 > 0 > 43 > 10 > 1 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 24 18 6 27 19 6 30 20 6 37 21 5 23 3 5 29 3 3 26 4 5 34 4 5 25 5 6 31 7 5 32 8 6 $$$$