69807997 -OEChem-04262422542D 94 94 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 6.8671 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 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 6.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4155 13.9040 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 8.4520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5494 15.4040 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 7.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4155 14.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2815 15.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1475 14.9040 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 9.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2815 16.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 15.0940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5494 16.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 8.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1475 14.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6845 15.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 1 0 0 0 23 1 1 1 0 0 0 20 2 1 1 0 0 0 2 28 1 0 0 0 0 19 3 1 6 0 0 0 3 60 1 0 0 0 0 4 23 1 0 0 0 0 4 27 1 0 0 0 0 25 5 1 1 0 0 0 5 68 1 0 0 0 0 26 6 1 6 0 0 0 6 69 1 0 0 0 0 7 28 1 0 0 0 0 7 35 1 0 0 0 0 8 38 2 0 0 0 0 9 39 2 0 0 0 0 18 10 1 6 0 0 0 10 29 1 0 0 0 0 10 54 1 0 0 0 0 21 11 1 6 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 24 12 1 6 0 0 0 12 34 1 0 0 0 0 12 66 1 0 0 0 0 13 31 1 0 0 0 0 13 79 1 0 0 0 0 13 80 1 0 0 0 0 14 37 1 0 0 0 0 14 83 1 0 0 0 0 14 84 1 0 0 0 0 15 38 1 0 0 0 0 15 87 1 0 0 0 0 15 88 1 0 0 0 0 16 39 1 0 0 0 0 16 89 1 0 0 0 0 16 90 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 18 22 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 31 1 0 0 0 0 28 59 1 0 0 0 0 29 33 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 67 1 0 0 0 0 32 36 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 78 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 2 0 0 0 0 40 85 1 0 0 0 0 41 43 2 0 0 0 0 41 86 1 0 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 M END > 69807997 > 1 > 731 > 14 > 10 > 10 > 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/C21H41N5O7.2C3H5NO/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*1-2-3(4)5/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3;2*2H,1H2,(H2,4,5)/t11?,12-,13+,14-,15+,16+,17-,18+,19?,20+,21-;;/m0../s1 > OEUARBKAMJNYMS-CGJDEBFWSA-N > 617.37482623 > C27H51N7O9 > 617.7 > CCNC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N.C=CC(=O)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.C=CC(=O)N > 286 > 617.37482623 > 0 > 43 > 9 > 2 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 17 1 5 23 1 5 18 10 6 21 11 6 24 12 6 31 13 3 20 2 5 28 2 3 19 3 6 25 5 5 26 6 6 $$$$