489225 -OEChem-05142400522D 117121 0 1 0 0 0 0 0999 V2000 8.3776 5.7078 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 13.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 13.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4548 14.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 15.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2149 12.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 13.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 11.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2330 14.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1104 15.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6600 12.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8691 14.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 13.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5886 2.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4546 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7226 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5056 8.3814 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1044 7.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8671 15.4235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 17.1555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.6914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8330 11.4280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1646 15.8129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1867 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9957 5.7078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0989 7.4679 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3671 14.5574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3671 14.5574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 15.4235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 15.4235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3671 16.2895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3671 16.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 13.6914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4059 13.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4548 12.8824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4059 14.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 13.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 12.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 11.6914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1285 13.0104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 12.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 13.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9375 12.4226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2149 14.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8510 12.8293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9556 13.8238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1465 14.4116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4030 13.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2511 15.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3206 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4546 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1867 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4546 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3206 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1867 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3206 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1867 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7226 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6867 6.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6867 6.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8565 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9871 14.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7471 14.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 15.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 15.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0571 16.8264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4747 16.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7844 16.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5856 13.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3089 12.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8932 12.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3089 14.8038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 12.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5571 15.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5571 14.8865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 11.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 17.6924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 17.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0637 12.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 13.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1771 15.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4391 12.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4867 14.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8109 14.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7862 12.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0204 14.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6449 14.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5607 11.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.0714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 12.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 14.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 14.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1011 16.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6326 15.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3345 11.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2666 11.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 10.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.0714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6120 16.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2264 12.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3707 13.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 13.5014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2294 16.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6662 15.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7236 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9177 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7236 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3206 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7236 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0511 7.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1665 3.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3196 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5465 2.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 59 1 0 0 0 0 1 61 1 0 0 0 0 29 2 1 1 0 0 0 35 2 1 6 0 0 0 30 3 1 6 0 0 0 39 3 1 6 0 0 0 4 35 1 0 0 0 0 4 38 1 0 0 0 0 32 5 1 6 0 0 0 5 85 1 0 0 0 0 36 6 1 1 0 0 0 42 6 1 1 0 0 0 7 39 1 0 0 0 0 7 44 1 0 0 0 0 37 8 1 1 0 0 0 8 92 1 0 0 0 0 9 42 1 0 0 0 0 9 49 1 0 0 0 0 41 10 1 1 0 0 0 10101 1 0 0 0 0 43 11 1 6 0 0 0 11102 1 0 0 0 0 12 46 1 0 0 0 0 12103 1 0 0 0 0 47 13 1 6 0 0 0 13104 1 0 0 0 0 48 14 1 1 0 0 0 14105 1 0 0 0 0 15 50 1 0 0 0 0 15106 1 0 0 0 0 16 53 1 0 0 0 0 16 60 1 0 0 0 0 17 56 2 0 0 0 0 18 60 2 0 0 0 0 19 28 1 0 0 0 0 20 28 2 0 0 0 0 31 21 1 1 0 0 0 21 77 1 0 0 0 0 21 78 1 0 0 0 0 33 22 1 1 0 0 0 22 80 1 0 0 0 0 22 81 1 0 0 0 0 40 23 1 6 0 0 0 23 93 1 0 0 0 0 23 94 1 0 0 0 0 45 24 1 1 0 0 0 24 99 1 0 0 0 0 24100 1 0 0 0 0 25 51 1 0 0 0 0 25107 1 0 0 0 0 25108 1 0 0 0 0 26 56 1 0 0 0 0 26 59 1 0 0 0 0 26113 1 0 0 0 0 27 59 2 0 0 0 0 27 62 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 31 34 1 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 37 1 0 0 0 0 35 71 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 38 46 1 6 0 0 0 38 74 1 0 0 0 0 39 40 1 0 0 0 0 39 75 1 0 0 0 0 40 41 1 0 0 0 0 40 76 1 0 0 0 0 41 43 1 0 0 0 0 41 79 1 0 0 0 0 42 45 1 0 0 0 0 42 82 1 0 0 0 0 43 44 1 0 0 0 0 43 83 1 0 0 0 0 44 50 1 1 0 0 0 44 84 1 0 0 0 0 45 47 1 0 0 0 0 45 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 47 48 1 0 0 0 0 47 89 1 0 0 0 0 48 49 1 0 0 0 0 48 90 1 0 0 0 0 49 51 1 1 0 0 0 49 91 1 0 0 0 0 50 95 1 0 0 0 0 50 96 1 0 0 0 0 51 97 1 0 0 0 0 51 98 1 0 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 52 56 1 0 0 0 0 53 55 2 0 0 0 0 54 57 1 0 0 0 0 54109 1 0 0 0 0 55 58 1 0 0 0 0 55110 1 0 0 0 0 57 58 2 0 0 0 0 57111 1 0 0 0 0 58112 1 0 0 0 0 60 63 1 0 0 0 0 61 62 2 0 0 0 0 62114 1 0 0 0 0 63115 1 0 0 0 0 63116 1 0 0 0 0 63117 1 0 0 0 0 M CHG 2 19 -1 28 1 M END > 489225 > 1 > 1300 > 26 > 14 > 13 > AAADcfB//gBAAAAAAAAAAAAAAAAAAWJAAAA0aIEAAAAAAAABwAAAHgQUCAAADDzx2gc/n5LYVgitAjH3fwCC+Kl1OjlpyI0OPMqfdjaE/Ru3e2jv8ZMPqaf4+C2OAAAAAAAIAAAAgAAUCBCgAAAAAAAAAA== > (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol;[2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] acetate > acetic acid [2-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]phenyl] ester;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]oxane-3,4-diol > (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate > (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate > (2S,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2S,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] ethanoate > acetic acid [2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] ester;(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-tetrahydropyran-3,4-diol > InChI=1S/C23H45N5O14.C12H9N3O5S/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22;1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h5-23,29-36H,1-4,24-28H2;2-6H,1H3,(H,13,14,17)/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1 > QVHRCCOEHPJKNL-UDXJMMFXSA-N > 922.32259270 > C35H54N8O19S > 922.9 > CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-].C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N > CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-].C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N > 490 > 922.32259270 > 0 > 63 > 19 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 1 59 8 1 61 8 41 10 5 43 11 6 47 13 6 48 14 5 29 2 5 35 2 6 31 21 5 33 22 5 40 23 6 45 24 5 27 59 8 27 62 8 30 3 6 39 3 6 38 46 6 44 50 5 49 51 5 32 5 6 52 53 8 52 54 8 53 55 8 54 57 8 55 58 8 57 58 8 36 6 5 42 6 5 61 62 8 37 8 5 $$$$