60148436 -OEChem-04252422572D 81 82 0 1 0 0 0 0 0999 V2000 11.7561 5.9520 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 7.8671 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 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 6.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8900 5.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2561 6.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2561 5.0860 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 7.3486 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 6.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3531 5.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 18 2 1 1 0 0 0 2 24 1 0 0 0 0 21 3 1 1 0 0 0 29 3 1 1 0 0 0 4 24 1 0 0 0 0 4 28 1 0 0 0 0 20 5 1 6 0 0 0 5 55 1 0 0 0 0 26 6 1 1 0 0 0 6 63 1 0 0 0 0 27 7 1 6 0 0 0 7 64 1 0 0 0 0 8 29 1 0 0 0 0 8 36 1 0 0 0 0 9 80 1 0 0 0 0 10 81 1 0 0 0 0 19 13 1 6 0 0 0 13 30 1 0 0 0 0 13 49 1 0 0 0 0 22 14 1 6 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 25 15 1 6 0 0 0 15 35 1 0 0 0 0 15 61 1 0 0 0 0 32 16 1 1 0 0 0 16 74 1 0 0 0 0 16 75 1 0 0 0 0 17 38 1 0 0 0 0 17 78 1 0 0 0 0 17 79 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 32 1 0 0 0 0 29 54 1 0 0 0 0 30 34 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 33 37 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 73 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 M END > 60148436 > 1 > 754 > 16 > 10 > 8 > AAADcfB7vABAAAAAAAAAAAAAAAAAAAAAAAA0QIAAAAAAAAAAAAAAHgAQCAAADHzxgAcCCALABoCAACBCADCACAAgIAAACIAIAAgTEAIAwQAnQAAHkACfAAPwcA8MAAAAAAAAAAAAgAAUCACgAAAAAAAAAA== > (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.H2O4S/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;1-5(2,3)4/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3;(H2,1,2,3,4)/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20?,21+;/m1./s1 > PQHZSWZPVGHDEZ-JWIXFRIFSA-N > 573.26797838 > C21H43N5O11S > 573.7 > CCNC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N.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 > 283 > 573.26797838 > 0 > 38 > 10 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 19 13 6 22 14 6 25 15 6 32 16 5 18 2 5 24 2 3 21 3 5 29 3 5 20 5 6 26 6 5 27 7 6 $$$$