49835692 -OEChem-05122421572D 97100 0 1 0 0 0 0 0999 V2000 7.7331 3.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 5.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4652 -0.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.9156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2332 0.0495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.9156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4651 0.9156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9652 -3.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9652 -6.8786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.9156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.9156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 2.4156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 1.4156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 2.4156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 0.9156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.4156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 5.9156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 5.4156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 5.4156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 4.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9652 0.0496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9651 0.0495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8312 6.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4651 -0.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.9156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9652 -1.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 7.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9652 -1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9652 -5.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4652 -2.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4652 -4.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4652 -6.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9652 -5.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9652 -6.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4652 -6.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1715 0.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 1.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 0.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.7256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 6.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 3.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 4.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6131 0.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5431 -0.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2752 0.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5851 0.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3681 5.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1412 6.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 6.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 7.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9401 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9401 -0.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6412 5.9525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 7.9525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.7256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 6.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2752 -2.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2752 -4.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0851 0.9156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1551 1.4525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9902 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9902 -2.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9902 -3.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9902 -4.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9902 -5.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9902 -6.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5478 -4.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8575 -4.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.9406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.9406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5852 -3.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3826 -7.0907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0729 -7.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9402 -6.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9402 -5.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2752 -7.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 23 1 1 6 0 0 0 19 2 1 6 0 0 0 28 2 1 6 0 0 0 20 3 1 1 0 0 0 3 61 1 0 0 0 0 4 23 1 0 0 0 0 4 27 1 0 0 0 0 25 5 1 6 0 0 0 5 67 1 0 0 0 0 26 6 1 1 0 0 0 6 70 1 0 0 0 0 7 28 1 0 0 0 0 7 34 1 0 0 0 0 8 31 2 0 0 0 0 33 9 1 6 0 0 0 9 95 1 0 0 0 0 18 10 1 1 0 0 0 10 31 1 0 0 0 0 10 55 1 0 0 0 0 21 11 1 1 0 0 0 11 58 1 0 0 0 0 11 59 1 0 0 0 0 24 12 1 1 0 0 0 12 35 1 0 0 0 0 12 66 1 0 0 0 0 29 13 1 6 0 0 0 13 77 1 0 0 0 0 13 78 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 89 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 94 1 0 0 0 0 16 42 1 0 0 0 0 16 96 1 0 0 0 0 16 97 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 45 1 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 32 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 33 1 0 0 0 0 32 36 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 42 1 0 0 0 0 33 71 1 0 0 0 0 34 36 2 0 0 0 0 34 38 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 75 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 37 41 1 0 0 0 0 37 76 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 43 1 0 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 41 44 1 0 0 0 0 41 85 1 0 0 0 0 41 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 M END > 49835692 > 1 > 960 > 15 > 11 > 12 > AAADcfB7vAAAAAAAAAAAAAAAAAAAAAAAAAA8SIEAAAAAAAAAAAAAHgAQCAAADXzxgAcCCALABgCIACFSEAKACAAgIAAACIFIAAgTEAoAwQAnQAAHlgCfAAPwcA8OAAAAAAAAAAAAgAAUCACgAAAAAAAAAA== > (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[[(2S,3R)-3-amino-6-[(4-piperidylmethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-propanamide > (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[[(2S,3R)-3-amino-6-[(4-piperidinylmethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)-2-oxanyl]oxy]-3-hydroxycyclohexyl]-2-hydroxypropanamide > (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[[(2S,3R)-3-amino-6-[(piperidin-4-ylmethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide > (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[[(2S,3R)-3-amino-6-[(piperidin-4-ylmethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide > (2S)-3-azanyl-N-[(1R,2S,3S,4R,5S)-5-azanyl-4-[[(2S,3R)-3-azanyl-6-[(piperidin-4-ylmethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-2-oxidanyl-propanamide > (2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[[(2S,3R)-3-amino-6-[(4-piperidylmethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-propionamide > InChI=1S/C28H53N7O9/c1-28(40)13-41-27(21(38)24(28)32-2)44-23-18(35-25(39)19(36)10-29)9-17(31)22(20(23)37)43-26-16(30)4-3-15(42-26)12-34-11-14-5-7-33-8-6-14/h3,14,16-24,26-27,32-34,36-38,40H,4-13,29-31H2,1-2H3,(H,35,39)/t16-,17+,18-,19+,20+,21-,22-,23+,24-,26-,27-,28+/m1/s1 > IWZLHDJFRKOWSG-SSCABTRRSA-N > -5 > 631.39047629 > C28H53N7O9 > 631.8 > CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CNCC4CCNCC4)N)N)NC(=O)C(CN)O)O > C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CNCC4CCNCC4)N)N)NC(=O)[C@H](CN)O)O > 261 > 631.39047629 > 0 > 44 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 1 6 23 1 6 18 10 5 21 11 5 24 12 5 29 13 6 19 2 6 28 2 6 20 3 5 25 5 6 26 6 5 33 9 6 $$$$