58857031 -OEChem-03192406382D 74 76 0 1 0 0 0 0 0999 V2000 6.3520 2.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -0.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 2.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 4.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 3.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -2.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 1.1835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8521 -1.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 5.1835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.8164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -5.1466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 1.1835 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2181 0.6835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4860 0.6835 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4860 -0.3165 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3520 -0.8165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2181 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 2.6835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6200 4.1835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4860 3.6835 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7540 3.6835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7540 2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 -1.6825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9501 0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 4.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.6825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6200 -2.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8162 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 5.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -3.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 -3.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -4.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 1.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7550 0.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 1.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 -0.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9137 -1.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4301 -0.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8287 -0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 2.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 4.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 4.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 1.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1434 2.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5419 2.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4720 -1.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5421 -2.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8101 -1.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 0.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5516 0.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3486 0.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7909 4.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 5.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 4.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 5.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 3.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 3.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 -2.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1262 0.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3531 1.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5062 1.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 5.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 5.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 6.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 -3.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -0.2795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -4.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -3.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -5.6835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -5.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 19 1 1 1 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 15 1 0 0 0 0 4 50 1 0 0 0 0 5 21 1 0 0 0 0 5 58 1 0 0 0 0 22 6 1 6 0 0 0 6 59 1 0 0 0 0 7 24 1 0 0 0 0 7 31 1 0 0 0 0 14 8 1 6 0 0 0 8 25 1 0 0 0 0 8 44 1 0 0 0 0 17 9 1 1 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 20 10 1 6 0 0 0 10 30 1 0 0 0 0 10 56 1 0 0 0 0 11 27 1 0 0 0 0 11 69 1 0 0 0 0 11 70 1 0 0 0 0 12 33 1 0 0 0 0 12 73 1 0 0 0 0 12 74 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 25 29 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 28 32 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 68 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 M END > 58857031 > 1 > 673 > 12 > 8 > 8 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA0QIAAAAAAAAAAAAAAHgAQCAAADHzxgAcCCALABgCAACBCAACACAAgIAAACIAIAAgTEAIAwQAnQAAHkACfAAPwcA8MAAAAAAAAAAAAgAAUCACgAAAAAAAAAA== > (2R,4R,5R)-2-[(4R,6R)-4-amino-3-[[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 > (2R,4R,5R)-2-[(4R,6R)-4-amino-3-[[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 > (2R,4R,5R)-2-[(4R,6R)-4-amino-3-[[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 > (2R,4R,5R)-2-[(4R,6R)-4-amino-3-[[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 > (2R,4R,5R)-2-[(4R,6R)-3-[[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 > (2R,4R,5R)-2-[(4R,6R)-4-amino-3-[[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 > InChI=1S/C21H41N5O7/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/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11?,12-,13-,14?,15?,16?,17?,18-,19?,20-,21+/m1/s1 > CIDUJQMULVCIBT-OOJYKRCZSA-N > -4.2 > 475.30059866 > C21H41N5O7 > 475.6 > CCNC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N > CCN[C@@H]1C[C@H](C(C(C1O[C@@H]2C([C@H]([C@@](CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N > 200 > 475.30059866 > 0 > 33 > 5 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 1 3 19 1 5 20 10 6 27 11 3 16 2 3 24 2 3 15 4 3 21 5 3 22 6 6 14 8 6 17 9 5 $$$$