44330511 -OEChem-04242406322D 79 81 0 1 0 0 0 0 0999 V2000 3.3966 2.7122 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 1.5147 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5941 3.4646 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6367 -0.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6065 2.8432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3118 3.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4217 2.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1741 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 3.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3195 -0.4768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2211 1.1545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6567 3.2882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0516 -3.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0516 -4.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9176 -2.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1856 -2.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9176 -4.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7836 -3.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7836 -4.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1856 -1.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3195 -1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2205 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1961 0.9320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4430 0.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8195 1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8195 1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4186 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9264 2.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9514 2.3326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2713 1.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2964 1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0016 2.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3369 4.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3465 2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 1.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 3.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3716 2.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0421 4.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5147 -3.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4410 -4.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8395 -5.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3162 -2.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5191 -2.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5750 -2.8692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9735 -3.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5191 -5.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3162 -5.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3942 -3.5845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9957 -2.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9957 -5.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3942 -4.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7962 -2.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3976 -1.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7090 -1.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1075 -2.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3585 -0.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8405 -0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7577 0.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0016 0.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8296 1.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9575 2.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2609 1.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3781 1.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6816 2.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7994 0.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3470 2.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0304 1.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7921 1.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0522 3.4262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7989 0.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4233 3.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2195 0.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8439 3.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6346 5.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8594 5.5693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4496 4.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 1.5545 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 9 2 0 0 0 0 1 38 1 0 0 0 0 2 38 1 0 0 0 0 3 38 1 0 0 0 0 4 27 2 0 0 0 0 5 28 2 0 0 0 0 6 34 2 0 0 0 0 7 78 1 0 0 0 0 8 79 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 27 1 0 0 0 0 23 11 1 1 0 0 0 11 28 1 0 0 0 0 11 66 1 0 0 0 0 29 12 1 6 0 0 0 12 34 1 0 0 0 0 12 70 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 14 17 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 23 59 1 0 0 0 0 24 26 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 67 1 0 0 0 0 30 31 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 36 1 0 0 0 0 32 71 1 0 0 0 0 33 37 2 0 0 0 0 33 72 1 0 0 0 0 34 39 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 73 1 0 0 0 0 37 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 M END > 44330511 > 1 > 887 > 8 > 4 > 11 > AAADcfB7OYIAAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABAAAAHwgQCCAADSjBmBQyAIPAABCIQiFSEIACAAAgAAAIiIGIAIgIYDKAkTGUIAAglgCIiAcYiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > [[4-[(2S)-2-acetamido-3-[[(3S)-1-(3-cyclohexylpropyl)-2-oxo-azepan-3-yl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(3S)-1-(3-cyclohexylpropyl)-2-oxo-3-azepanyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(3S)-1-(3-cyclohexylpropyl)-2-oxoazepan-3-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(3S)-1-(3-cyclohexylpropyl)-2-oxoazepan-3-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(3S)-1-(3-cyclohexylpropyl)-2-oxidanylidene-azepan-3-yl]amino]-3-oxidanylidene-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(3S)-1-(3-cyclohexylpropyl)-2-keto-azepan-3-yl]amino]-3-keto-propyl]phenyl]-difluoro-methyl]phosphonic acid > InChI=1S/C27H40F2N3O6P/c1-19(33)30-24(18-21-12-14-22(15-13-21)27(28,29)39(36,37)38)25(34)31-23-11-5-6-16-32(26(23)35)17-7-10-20-8-3-2-4-9-20/h12-15,20,23-24H,2-11,16-18H2,1H3,(H,30,33)(H,31,34)(H2,36,37,38)/t23-,24-/m0/s1 > FFADFKAUBUZNPR-ZEQRLZLVSA-N > 3.5 > 571.26227933 > C27H40F2N3O6P > 571.6 > CC(=O)NC(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)C(=O)NC2CCCCN(C2=O)CCCC3CCCCC3 > CC(=O)N[C@@H](CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)CCCC3CCCCC3 > 136 > 571.26227933 > 0 > 39 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 11 5 29 12 6 31 32 8 31 33 8 32 36 8 33 37 8 35 36 8 35 37 8 $$$$