59875058 -OEChem-05112405042D 80 81 0 1 0 0 0 0 0999 V2000 9.7942 6.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 -5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 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 9.7942 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 -6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7500 0.0000 C 0 0 0 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 10.6603 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.7500 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 10.6603 4.2500 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 8.0622 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.7500 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 2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 8.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -8.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 -7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 2 0 0 0 0 1 41 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 2 17 2 0 0 0 0 2 45 1 0 0 0 0 3 41 1 0 0 0 0 4 41 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 27 2 0 0 0 0 9 35 2 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 46 2 0 0 0 0 12 74 1 0 0 0 0 13 75 1 0 0 0 0 15 76 1 0 0 0 0 16 77 1 0 0 0 0 18 21 1 0 0 0 0 18 27 1 0 0 0 0 18 53 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 19 58 1 0 0 0 0 20 35 1 0 0 0 0 20 72 1 0 0 0 0 20 73 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 48 1 0 0 0 0 22 28 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 23 30 1 6 0 0 0 23 51 1 0 0 0 0 24 29 1 0 0 0 0 24 35 1 0 0 0 0 24 52 1 0 0 0 0 26 32 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 39 2 0 0 0 0 31 40 1 0 0 0 0 32 46 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 37 1 0 0 0 0 33 64 1 0 0 0 0 34 38 2 0 0 0 0 34 65 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 36 41 1 0 0 0 0 37 66 1 0 0 0 0 38 67 1 0 0 0 0 39 43 1 0 0 0 0 39 68 1 0 0 0 0 40 44 2 0 0 0 0 40 69 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 43 70 1 0 0 0 0 44 71 1 0 0 0 0 47 78 1 0 0 0 0 47 79 1 0 0 0 0 47 80 1 0 0 0 0 M END > 59875058 > 1 > 1220 > 15 > 7 > 17 > AAADcfB7PcMAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwgQCCAADSjBmBYyCILABBCIQiHSGIACAAAgAAAIiIGIAIgIYDKAkTGUIAAklgCIiAeYn8KOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > [[4-[3-amino-2-[[3-[4-[difluoro(phosphono)methyl]phenyl]-2-[[(2S)-5-methoxy-2-methyl-5-oxo-pentanoyl]amino]propanoyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid > [[4-[3-amino-2-[[3-[4-[difluoro(phosphono)methyl]phenyl]-2-[[(2S)-5-methoxy-2-methyl-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[3-amino-2-[[3-[4-[difluoro(phosphono)methyl]phenyl]-2-[[(2S)-5-methoxy-2-methyl-5-oxopentanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[3-amino-2-[[3-[4-[difluoro(phosphono)methyl]phenyl]-2-[[(2S)-5-methoxy-2-methyl-5-oxopentanoyl]amino]propanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[3-azanyl-2-[[3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-2-[[(2S)-5-methoxy-2-methyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-oxidanylidene-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid > [[4-[3-[[2-amino-1-[4-[difluoro(phosphono)methyl]benzyl]-2-keto-ethyl]amino]-3-keto-2-[[(2S)-5-keto-5-methoxy-2-methyl-pentanoyl]amino]propyl]phenyl]-difluoro-methyl]phosphonic acid > InChI=1S/C27H33F4N3O11P2/c1-15(3-12-22(35)45-2)24(37)34-21(14-17-6-10-19(11-7-17)27(30,31)47(42,43)44)25(38)33-20(23(32)36)13-16-4-8-18(9-5-16)26(28,29)46(39,40)41/h4-11,15,20-21H,3,12-14H2,1-2H3,(H2,32,36)(H,33,38)(H,34,37)(H2,39,40,41)(H2,42,43,44)/t15-,20?,21?/m0/s1 > SUEKWCVONJHKMR-VUZGARFFSA-N > -0.1 > 713.15264552 > C27H33F4N3O11P2 > 713.5 > CC(CCC(=O)OC)C(=O)NC(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)C(=O)NC(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)C(=O)N > C[C@@H](CCC(=O)OC)C(=O)NC(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)C(=O)NC(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)C(=O)N > 243 > 713.15264552 > 0 > 47 > 1 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 22 3 23 30 6 24 29 3 28 33 8 28 34 8 31 39 8 31 40 8 33 37 8 34 38 8 36 37 8 36 38 8 39 43 8 40 44 8 42 43 8 42 44 8 $$$$