59875021 -OEChem-03282413272D 81 82 0 1 0 0 0 0 0999 V2000 7.7331 6.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 -5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 -6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 4.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 4.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 8.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0431 7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 -7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 1 42 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 15 2 0 0 0 0 2 46 1 0 0 0 0 3 42 1 0 0 0 0 4 42 1 0 0 0 0 5 46 1 0 0 0 0 6 46 1 0 0 0 0 7 27 2 0 0 0 0 8 28 2 0 0 0 0 9 35 2 0 0 0 0 10 78 1 0 0 0 0 11 79 1 0 0 0 0 13 80 1 0 0 0 0 14 81 1 0 0 0 0 16 21 1 0 0 0 0 16 28 1 0 0 0 0 16 54 1 0 0 0 0 17 25 1 0 0 0 0 17 27 1 0 0 0 0 17 59 1 0 0 0 0 18 23 1 0 0 0 0 18 64 1 0 0 0 0 18 65 1 0 0 0 0 19 35 1 0 0 0 0 19 74 1 0 0 0 0 19 75 1 0 0 0 0 20 36 1 0 0 0 0 20 76 1 0 0 0 0 20 77 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 21 47 1 0 0 0 0 22 29 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 30 1 0 0 0 0 25 35 1 0 0 0 0 25 53 1 0 0 0 0 26 31 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 32 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 36 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 40 2 0 0 0 0 32 41 1 0 0 0 0 33 38 1 0 0 0 0 33 62 1 0 0 0 0 34 39 2 0 0 0 0 34 63 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 37 42 1 0 0 0 0 38 68 1 0 0 0 0 39 69 1 0 0 0 0 40 44 1 0 0 0 0 40 70 1 0 0 0 0 41 45 2 0 0 0 0 41 71 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 44 72 1 0 0 0 0 45 73 1 0 0 0 0 M END > 59875021 > 1 > 1140 > 15 > 9 > 17 > AAADcfB7vcMAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwgQCCAADCjBmBQwAILAABCIQiFSEIACAAAgAAAIiIGIAIgIYDKAkTGUIAAglgCIiAcYiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > [[4-[3-amino-2-[[2-(2,6-diaminohexanoylamino)-3-[4-[difluoro(phosphono)methyl]phenyl]propanoyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid > [[4-[3-amino-2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[3-amino-2-[[2-(2,6-diaminohexanoylamino)-3-[4-[difluoro(phosphono)methyl]phenyl]propanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[3-amino-2-[[2-(2,6-diaminohexanoylamino)-3-[4-[difluoro(phosphono)methyl]phenyl]propanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[3-azanyl-2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]propanoyl]amino]-3-oxidanylidene-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid > [[4-[3-amino-2-[[2-(2,6-diaminohexanoylamino)-3-[4-[difluoro(phosphono)methyl]phenyl]propanoyl]amino]-3-keto-propyl]phenyl]-difluoro-methyl]phosphonic acid > InChI=1S/C26H35F4N5O9P2/c27-25(28,45(39,40)41)17-8-4-15(5-9-17)13-20(22(33)36)34-24(38)21(35-23(37)19(32)3-1-2-12-31)14-16-6-10-18(11-7-16)26(29,30)46(42,43)44/h4-11,19-21H,1-3,12-14,31-32H2,(H2,33,36)(H,34,38)(H,35,37)(H2,39,40,41)(H2,42,43,44) > MNRZXOGJSVTHRZ-UHFFFAOYSA-N > -6.1 > 699.18461435 > C26H35F4N5O9P2 > 699.5 > C1=CC(=CC=C1CC(C(=O)N)NC(=O)C(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)C(CCCCN)N)C(F)(F)P(=O)(O)O > C1=CC(=CC=C1CC(C(=O)N)NC(=O)C(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)C(CCCCN)N)C(F)(F)P(=O)(O)O > 268 > 699.18461435 > 0 > 46 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 18 3 21 22 3 25 30 3 29 33 8 29 34 8 32 40 8 32 41 8 33 38 8 34 39 8 37 38 8 37 39 8 40 44 8 41 45 8 43 44 8 43 45 8 $$$$