59875056 -OEChem-05092405252D 77 78 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 6.8671 -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 6.7331 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.7500 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 4.7500 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 7.7331 -1.2500 0.0000 C 0 0 3 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 6.8671 -1.7500 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 4.2690 1.7500 0.0000 C 0 0 3 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 6.8671 -2.7500 0.0000 C 0 0 0 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 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 7.7331 4.7500 0.0000 C 0 0 0 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 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 6.8671 -4.7500 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 6.0010 -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 3.4030 4.2500 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 8.2700 -0.9400 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 6.0010 2.3700 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 4.2690 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 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 2.7924 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 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 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 -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 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 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 2.5369 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4400 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 14 2 0 0 0 0 1 42 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 16 2 0 0 0 0 2 45 1 0 0 0 0 3 42 1 0 0 0 0 4 42 1 0 0 0 0 5 45 1 0 0 0 0 6 45 1 0 0 0 0 7 25 2 0 0 0 0 8 29 2 0 0 0 0 9 34 2 0 0 0 0 10 74 1 0 0 0 0 11 75 1 0 0 0 0 12 76 1 0 0 0 0 13 77 1 0 0 0 0 15 46 2 0 0 0 0 17 22 1 0 0 0 0 17 29 1 0 0 0 0 17 53 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 18 54 1 0 0 0 0 19 28 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 34 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 21 46 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 23 27 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 24 50 1 0 0 0 0 26 30 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 28 55 1 0 0 0 0 30 39 2 0 0 0 0 30 40 1 0 0 0 0 31 36 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 37 1 0 0 0 0 32 58 1 0 0 0 0 33 38 2 0 0 0 0 33 59 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 35 42 1 0 0 0 0 36 46 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 39 43 1 0 0 0 0 39 62 1 0 0 0 0 40 44 2 0 0 0 0 40 63 1 0 0 0 0 41 43 2 0 0 0 0 41 44 1 0 0 0 0 41 45 1 0 0 0 0 43 66 1 0 0 0 0 44 67 1 0 0 0 0 M END > 59875056 > 1 > 1200 > 15 > 9 > 16 > AAADceB7vcMAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwgQCCAADCjBmBQwAILAABCIQiFSEIACAAAgAAAIiIGIAIgIYDKAkTGUIAAglgCIiAcci8COQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > [[4-[3-amino-2-[[2-[(2,5-diamino-5-oxo-pentanoyl)amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid > [[4-[3-amino-2-[[2-[(2,5-diamino-1,5-dioxopentyl)amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[3-amino-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[3-amino-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[3-azanyl-2-[[2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]propanoyl]amino]-3-oxidanylidene-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid > [[4-[3-amino-2-[[2-[(2,5-diamino-5-keto-pentanoyl)amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoyl]amino]-3-keto-propyl]phenyl]-difluoro-methyl]phosphonic acid > InChI=1S/C25H31F4N5O10P2/c26-24(27,45(39,40)41)15-5-1-13(2-6-15)11-18(21(32)36)33-23(38)19(34-22(37)17(30)9-10-20(31)35)12-14-3-7-16(8-4-14)25(28,29)46(42,43)44/h1-8,17-19H,9-12,30H2,(H2,31,35)(H2,32,36)(H,33,38)(H,34,37)(H2,39,40,41)(H2,42,43,44) > NDVXQHKJJITLTA-UHFFFAOYSA-N > -4.7 > 699.14822885 > C25H31F4N5O10P2 > 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(CCC(=O)N)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(CCC(=O)N)N)C(F)(F)P(=O)(O)O > 286 > 699.14822885 > 0 > 46 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 28 19 3 22 23 3 24 26 3 27 32 8 27 33 8 30 39 8 30 40 8 32 37 8 33 38 8 35 37 8 35 38 8 39 43 8 40 44 8 41 43 8 41 44 8 $$$$