57038867 -OEChem-05042420582D 111111 0 1 0 0 0 0 0999 V2000 5.4641 8.0950 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 7.0950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 7.0950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 9.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 8.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 8.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -7.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6603 -8.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -9.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -4.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -4.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -5.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -4.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -5.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -6.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -6.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -5.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -7.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -7.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -8.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -7.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -1.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -0.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -8.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -9.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -9.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -9.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -8.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6804 -3.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3004 -2.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 9.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 8.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 1 49 1 0 0 0 0 2 49 1 0 0 0 0 3 49 1 0 0 0 0 4 24 2 0 0 0 0 5 29 2 0 0 0 0 6 38 2 0 0 0 0 7 45 2 0 0 0 0 8110 1 0 0 0 0 9111 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 24 1 0 0 0 0 12 21 1 0 0 0 0 12 29 1 0 0 0 0 12 74 1 0 0 0 0 25 13 1 6 0 0 0 13 38 1 0 0 0 0 13 79 1 0 0 0 0 35 14 1 6 0 0 0 14 45 1 0 0 0 0 14102 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 18 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 20 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 22 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 23 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 24 1 0 0 0 0 21 32 1 0 0 0 0 21 63 1 0 0 0 0 22 27 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 28 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 25 68 1 0 0 0 0 26 33 1 0 0 0 0 26 34 1 0 0 0 0 26 69 1 0 0 0 0 27 30 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 31 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 30 36 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 37 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 38 1 0 0 0 0 35 39 1 0 0 0 0 35 89 1 0 0 0 0 36 41 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 37 42 1 0 0 0 0 37 92 1 0 0 0 0 37 93 1 0 0 0 0 39 40 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 43 2 0 0 0 0 40 44 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 41 98 1 0 0 0 0 42 99 1 0 0 0 0 42100 1 0 0 0 0 42101 1 0 0 0 0 43 47 1 0 0 0 0 43103 1 0 0 0 0 44 48 2 0 0 0 0 44104 1 0 0 0 0 45 50 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 47105 1 0 0 0 0 48106 1 0 0 0 0 50107 1 0 0 0 0 50108 1 0 0 0 0 50109 1 0 0 0 0 M END > 57038867 > 1 > 1070 > 9 > 5 > 25 > AAADcfB/uYIAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwgQCCAADSjBmBQyAIPAABCIQiFSEIACAAAgAAAIiIGIAIgIYDKAkTGUIAAglgCIiAcYiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > [[4-[(2R)-2-acetamido-3-[[(1S)-1-[[2-(dioctylamino)-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid > [[4-[(2R)-2-acetamido-3-[[(2S)-1-[[1-(dioctylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[(2R)-2-acetamido-3-[[(2S)-1-[[1-(dioctylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[(2R)-2-acetamido-3-[[(2S)-1-[[1-(dioctylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[(2R)-2-acetamido-3-[[(2S)-1-[[1-(dioctylamino)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid > [[4-[(2R)-2-acetamido-3-[[(1S)-1-[[2-(dioctylamino)-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-propyl]amino]-3-keto-propyl]phenyl]-difluoro-methyl]phosphonic acid > InChI=1S/C36H61F2N4O7P/c1-7-9-11-13-15-17-23-42(24-18-16-14-12-10-8-2)35(46)27(5)39-34(45)32(26(3)4)41-33(44)31(40-28(6)43)25-29-19-21-30(22-20-29)36(37,38)50(47,48)49/h19-22,26-27,31-32H,7-18,23-25H2,1-6H3,(H,39,45)(H,40,43)(H,41,44)(H2,47,48,49)/t27?,31-,32+/m1/s1 > USKXYXJMYRIFHE-ASXHNKEZSA-N > 7.1 > 730.42459362 > C36H61F2N4O7P > 730.9 > CCCCCCCCN(CCCCCCCC)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)NC(=O)C > CCCCCCCCN(CCCCCCCC)C(=O)C(C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)NC(=O)C > 165 > 730.42459362 > 0 > 50 > 2 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 25 13 6 35 14 6 21 32 3 40 43 8 40 44 8 43 47 8 44 48 8 46 47 8 46 48 8 $$$$