10794602 -OEChem-05052421002D 99 99 0 1 0 0 0 0 0999 V2000 5.4641 7.3450 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 6.3450 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 6.3450 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 8.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -8.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -8.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -5.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -5.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -5.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -5.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -6.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -7.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -7.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -6.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -2.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -1.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -8.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -8.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -9.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -8.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -8.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 -4.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 -3.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 8.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 7.8819 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 45 1 0 0 0 0 2 45 1 0 0 0 0 3 45 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 42 2 0 0 0 0 8 98 1 0 0 0 0 9 99 1 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 21 12 1 1 0 0 0 12 25 1 0 0 0 0 12 62 1 0 0 0 0 17 13 1 6 0 0 0 13 32 1 0 0 0 0 13 67 1 0 0 0 0 30 14 1 1 0 0 0 14 42 1 0 0 0 0 14 84 1 0 0 0 0 15 19 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 20 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 17 51 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 52 1 0 0 0 0 19 23 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 24 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 21 57 1 0 0 0 0 23 26 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 27 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 26 33 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 34 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 30 68 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 33 37 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 38 1 0 0 0 0 34 80 1 0 0 0 0 34 81 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 85 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 39 43 1 0 0 0 0 39 91 1 0 0 0 0 40 44 2 0 0 0 0 40 92 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 42 46 1 0 0 0 0 43 93 1 0 0 0 0 44 94 1 0 0 0 0 46 95 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 M END > 10794602 > 1 > 1010 > 9 > 5 > 21 > AAADcfB/uYIAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwgQCCAADSjBmBQyAIPAABCIQiFSEIACAAAgAAAIiIGIAIgIYDKAkTGUIAAglgCIiAcYiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > [[4-[(2S)-2-acetamido-3-[[(1S)-1-[[(1S)-2-(dihexylamino)-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(2S)-1-[[(2S)-1-(dihexylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(2S)-1-[[(2S)-1-(dihexylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(2S)-1-[[(2S)-1-(dihexylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(2S)-1-[[(2S)-1-(dihexylamino)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(1S)-1-[[(1S)-2-(dihexylamino)-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-propyl]amino]-3-keto-propyl]phenyl]-difluoro-methyl]phosphonic acid > InChI=1S/C32H53F2N4O7P/c1-7-9-11-13-19-38(20-14-12-10-8-2)31(42)23(5)35-30(41)28(22(3)4)37-29(40)27(36-24(6)39)21-25-15-17-26(18-16-25)32(33,34)46(43,44)45/h15-18,22-23,27-28H,7-14,19-21H2,1-6H3,(H,35,41)(H,36,39)(H,37,40)(H2,43,44,45)/t23-,27-,28-/m0/s1 > VSMBWVBVCNNZOS-RNCAPKPVSA-N > 4.9 > 674.36199336 > C32H53F2N4O7P > 674.8 > 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)(O)O)NC(=O)C > CCCCCCN(CCCCCC)C(=O)[C@H](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 > 674.36199336 > 0 > 46 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 12 5 17 13 6 30 14 5 36 39 8 36 40 8 39 43 8 40 44 8 41 43 8 41 44 8 $$$$