59875020 -OEChem-05072412032D 88 90 0 1 0 0 0 0 0999 V2000 12.0632 6.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -6.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0632 5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 -5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 -5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 2.3840 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 4.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0632 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 -6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 -6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 4.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0632 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 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 0 0 0 0 0 0 0 0 0 0 9.4651 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -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 12.9292 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.7500 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 6.0010 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.7500 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 5.1350 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 8.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3732 7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -8.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8872 -7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 2.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 2 0 0 0 0 1 45 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 2 20 2 0 0 0 0 2 52 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 21 2 0 0 0 0 3 55 1 0 0 0 0 4 45 1 0 0 0 0 5 45 1 0 0 0 0 6 52 1 0 0 0 0 7 52 1 0 0 0 0 8 55 1 0 0 0 0 9 55 1 0 0 0 0 10 29 2 0 0 0 0 11 34 2 0 0 0 0 12 39 2 0 0 0 0 13 83 1 0 0 0 0 14 84 1 0 0 0 0 16 85 1 0 0 0 0 17 86 1 0 0 0 0 18 87 1 0 0 0 0 19 88 1 0 0 0 0 22 26 1 0 0 0 0 22 34 1 0 0 0 0 22 60 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 23 64 1 0 0 0 0 24 30 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 39 1 0 0 0 0 25 81 1 0 0 0 0 25 82 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 26 56 1 0 0 0 0 27 32 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 31 1 0 0 0 0 28 39 1 0 0 0 0 28 59 1 0 0 0 0 30 33 1 0 0 0 0 30 34 1 0 0 0 0 30 61 1 0 0 0 0 31 35 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 37 2 0 0 0 0 32 38 1 0 0 0 0 33 36 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 35 43 2 0 0 0 0 35 44 1 0 0 0 0 36 47 2 0 0 0 0 36 48 1 0 0 0 0 37 41 1 0 0 0 0 37 67 1 0 0 0 0 38 42 2 0 0 0 0 38 68 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 40 45 1 0 0 0 0 41 69 1 0 0 0 0 42 70 1 0 0 0 0 43 50 1 0 0 0 0 43 71 1 0 0 0 0 44 51 2 0 0 0 0 44 72 1 0 0 0 0 46 50 2 0 0 0 0 46 51 1 0 0 0 0 46 52 1 0 0 0 0 47 53 1 0 0 0 0 47 75 1 0 0 0 0 48 54 2 0 0 0 0 48 76 1 0 0 0 0 49 53 2 0 0 0 0 49 54 1 0 0 0 0 49 55 1 0 0 0 0 50 77 1 0 0 0 0 51 78 1 0 0 0 0 53 79 1 0 0 0 0 54 80 1 0 0 0 0 M END > 59875020 > 1 > 1510 > 19 > 10 > 17 > AAADcfB7vcMAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwgQCCAADCjBmBQwAILAABCIQiFSEIACAAAgAAAIiIGIAIgIYDKAkTGUIAAglgCIiAcYiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > [[4-[2-amino-3-[[2-[[2-amino-1-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-2-oxo-ethyl]amino]-1-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-2-oxo-ethyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid > [[4-[2-amino-3-[[1-[[1-amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[2-amino-3-[[1-[[1-amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[2-amino-3-[[1-[[1-amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[2-azanyl-3-[[1-[[1-azanyl-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid > [[4-[2-amino-3-[[2-[[2-amino-1-[4-[difluoro(phosphono)methyl]benzyl]-2-keto-ethyl]amino]-1-[4-[difluoro(phosphono)methyl]benzyl]-2-keto-ethyl]amino]-3-keto-propyl]phenyl]-difluoro-methyl]phosphonic acid > InChI=1S/C30H33F6N4O12P3/c31-28(32,53(44,45)46)19-7-1-16(2-8-19)13-22(37)26(42)40-24(15-18-5-11-21(12-6-18)30(35,36)55(50,51)52)27(43)39-23(25(38)41)14-17-3-9-20(10-4-17)29(33,34)54(47,48)49/h1-12,22-24H,13-15,37H2,(H2,38,41)(H,39,43)(H,40,42)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52) > YSPZRNFUCNTOIN-UHFFFAOYSA-N > -4.5 > 848.12120247 > C30H33F6N4O12P3 > 848.5 > C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)C(=O)NC(CC3=CC=C(C=C3)C(F)(F)P(=O)(O)O)C(=O)N)N)C(F)(F)P(=O)(O)O > C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)C(=O)NC(CC3=CC=C(C=C3)C(F)(F)P(=O)(O)O)C(=O)N)N)C(F)(F)P(=O)(O)O > 300 > 848.12120247 > 0 > 55 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 30 24 3 26 27 3 28 31 3 32 37 8 32 38 8 35 43 8 35 44 8 36 47 8 36 48 8 37 41 8 38 42 8 40 41 8 40 42 8 43 50 8 44 51 8 46 50 8 46 51 8 47 53 8 48 54 8 49 53 8 49 54 8 $$$$