57167893 -OEChem-04262411532D 111111 0 1 0 0 0 0 0999 V2000 5.4641 6.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 7.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9641 7.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -5.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -6.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -6.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -5.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -7.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -7.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -7.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -7.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -8.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -9.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -9.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -9.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -8.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 7.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 8.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 8.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 7.8281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 9.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 9.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 9.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9641 6.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5841 7.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9641 8.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 10 2 0 0 0 0 1 44 1 0 0 0 0 2 44 1 0 0 0 0 3 44 1 0 0 0 0 4 22 2 0 0 0 0 5 25 2 0 0 0 0 6 32 2 0 0 0 0 7 47 1 0 0 0 0 8 48 1 0 0 0 0 9 45 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 12 21 1 0 0 0 0 12 25 1 0 0 0 0 12 66 1 0 0 0 0 17 13 1 6 0 0 0 13 32 1 0 0 0 0 13 71 1 0 0 0 0 28 14 1 6 0 0 0 14 45 1 0 0 0 0 14 88 1 0 0 0 0 15 19 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 20 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 17 55 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 56 1 0 0 0 0 19 23 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 24 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 21 61 1 0 0 0 0 23 26 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 27 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 26 33 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 34 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 32 1 0 0 0 0 28 35 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 33 37 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 38 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 35 36 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 38 94 1 0 0 0 0 39 42 1 0 0 0 0 39 95 1 0 0 0 0 40 43 2 0 0 0 0 40 96 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 42 97 1 0 0 0 0 43 98 1 0 0 0 0 45 46 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 47 49 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 48 50 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 49106 1 0 0 0 0 49107 1 0 0 0 0 49108 1 0 0 0 0 50109 1 0 0 0 0 50110 1 0 0 0 0 50111 1 0 0 0 0 M END > 57167893 > 1 > 1070 > 9 > 3 > 25 > AAADcfB/uYIAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwgQACAADSjhmBYyAIPAARCIQiFSEIACAAAgAAAIiIGIAIgIYDKAkTGUIAAglgCIiAcYiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > (2S)-2-[[(2R)-2-acetamido-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]propanoyl]amino]-N-[2-(dihexylamino)-1-methyl-2-oxo-ethyl]-3-methyl-butanamide > (2S)-2-[[(2R)-2-acetamido-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-1-oxopropyl]amino]-N-[1-(dihexylamino)-1-oxopropan-2-yl]-3-methylbutanamide > (2S)-2-[[(2R)-2-acetamido-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]propanoyl]amino]-N-[1-(dihexylamino)-1-oxopropan-2-yl]-3-methylbutanamide > (2S)-2-[[(2R)-2-acetamido-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]propanoyl]amino]-N-[1-(dihexylamino)-1-oxopropan-2-yl]-3-methylbutanamide > (2S)-2-[[(2R)-2-acetamido-3-[4-[diethoxyphosphoryl-bis(fluoranyl)methyl]phenyl]propanoyl]amino]-N-[1-(dihexylamino)-1-oxidanylidene-propan-2-yl]-3-methyl-butanamide > (2S)-2-[[(2R)-2-acetamido-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]propanoyl]amino]-N-[2-(dihexylamino)-2-keto-1-methyl-ethyl]-3-methyl-butyramide > InChI=1S/C36H61F2N4O7P/c1-9-13-15-17-23-42(24-18-16-14-10-2)35(46)27(7)39-34(45)32(26(5)6)41-33(44)31(40-28(8)43)25-29-19-21-30(22-20-29)36(37,38)50(47,48-11-3)49-12-4/h19-22,26-27,31-32H,9-18,23-25H2,1-8H3,(H,39,45)(H,40,43)(H,41,44)/t27?,31-,32+/m1/s1 > JHBHKJNDMAPDCG-ASXHNKEZSA-N > 6.7 > 730.42459362 > C36H61F2N4O7P > 730.9 > CCCCCCN(CCCCCC)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)C(F)(F)P(=O)(OCC)OCC)NC(=O)C > CCCCCCN(CCCCCC)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)(OCC)OCC)NC(=O)C > 143 > 730.42459362 > 0 > 50 > 2 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 13 6 28 14 6 21 31 3 36 39 8 36 40 8 39 42 8 40 43 8 41 42 8 41 43 8 $$$$