69807523 -OEChem-03182423062D 84 85 0 1 0 0 0 0 0999 V2000 10.0240 7.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 4.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 7.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 6.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 9.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4259 9.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7560 6.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5241 4.0011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 10.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 4.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 0.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.3920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 6.8671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8900 6.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1580 6.3671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1580 5.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0240 4.8671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8900 5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1580 8.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2920 9.8671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1580 9.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4259 9.3671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4259 8.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 4.0010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6221 6.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9259 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7920 4.0010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2920 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4881 6.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1580 11.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7920 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5609 7.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4270 6.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1580 6.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1580 4.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5856 4.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1021 4.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5006 5.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1580 7.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7550 10.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1580 9.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7560 7.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8153 8.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2139 7.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1440 4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2141 3.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 4.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7550 6.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2235 5.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0206 5.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 10.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6159 10.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 9.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7550 11.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5609 9.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1159 8.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8170 3.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8170 2.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7981 6.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0250 7.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1781 7.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4680 10.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6949 11.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 11.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4821 1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6020 5.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7669 1.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7669 1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1020 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.2720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 6.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 21 1 1 1 0 0 0 18 2 1 1 0 0 0 2 26 1 0 0 0 0 3 21 1 0 0 0 0 3 25 1 0 0 0 0 17 4 1 6 0 0 0 4 55 1 0 0 0 0 23 5 1 1 0 0 0 5 63 1 0 0 0 0 24 6 1 6 0 0 0 6 64 1 0 0 0 0 7 26 1 0 0 0 0 7 33 1 0 0 0 0 8 36 2 0 0 0 0 16 9 1 6 0 0 0 9 27 1 0 0 0 0 9 49 1 0 0 0 0 19 10 1 6 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 22 11 1 6 0 0 0 11 32 1 0 0 0 0 11 61 1 0 0 0 0 12 29 1 0 0 0 0 12 74 1 0 0 0 0 12 75 1 0 0 0 0 13 35 1 0 0 0 0 13 78 1 0 0 0 0 13 79 1 0 0 0 0 14 36 1 0 0 0 0 14 81 1 0 0 0 0 14 82 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 20 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 31 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 30 34 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 73 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 80 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 M END > 69807523 > 1 > 731 > 13 > 9 > 9 > AAADcfB7vAAAAAAAAAAAAAAAAAAAAAAAAAA0QIAAAAAAAAAAAAAAHgAQCAAADHzxgAcCCALABgCIACFSEACACAAgIAAICIAIAEgTEAIAwQAnQAAHkACfAIPwcA8MAAAAAAAAAAAAgAAUCACgAAAAAAAAAA== > (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,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;prop-2-enamide > (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,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;2-propenamide > (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,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;prop-2-enamide > (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,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;prop-2-enamide > (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,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;prop-2-enamide > acrylamide;(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,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.C3H5NO/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;1-2-3(4)5/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3;2H,1H2,(H2,4,5)/t11?,12-,13+,14-,15+,16+,17-,18+,19?,20+,21-;/m0./s1 > XYJJLFIWKISCIW-YOCZUHLISA-N > 546.33771245 > C24H46N6O8 > 546.7 > CCNC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N.C=CC(=O)N > CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N.C=CC(=O)N > 243 > 546.33771245 > 0 > 38 > 9 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 15 1 5 21 1 5 19 10 6 22 11 6 29 12 3 18 2 5 26 2 3 17 4 6 23 5 5 24 6 6 16 9 6 $$$$