70237326 -OEChem-05092420512D 79 81 0 1 0 0 0 0 0999 V2000 3.3966 1.9622 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 0.7647 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5941 2.7146 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6367 -1.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6065 2.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3118 3.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4217 2.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1741 0.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 2.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3195 -1.2268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2211 0.4045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6567 2.5382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1856 -2.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3195 -2.2268 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1856 -3.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0516 -2.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0516 -4.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9176 -2.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9176 -3.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4535 -2.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2205 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4186 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1961 0.1820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4430 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8195 0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8195 0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4535 -3.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9264 1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9514 1.5826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2713 0.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2964 1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3369 3.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 0.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0016 2.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3465 1.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0267 2.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0421 4.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3716 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1856 -2.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7826 -1.9168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5750 -3.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9735 -4.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4501 -1.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6531 -1.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6531 -4.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4501 -4.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5282 -2.8345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1297 -2.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1297 -4.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5282 -3.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2415 -2.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8429 -2.8345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3585 -1.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8405 -0.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7577 -0.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0016 -0.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8296 0.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9575 1.5683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2609 1.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3781 1.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6816 1.5683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8335 -3.7268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4535 -4.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0735 -3.7268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7994 -0.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3470 1.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0304 0.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7921 0.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0522 2.6761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7989 -0.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4233 2.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2195 0.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8439 2.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6346 4.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8594 4.8193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4496 4.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 0.8045 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 39 1 0 0 0 0 2 39 1 0 0 0 0 3 39 1 0 0 0 0 4 22 2 0 0 0 0 5 28 2 0 0 0 0 6 32 2 0 0 0 0 7 78 1 0 0 0 0 8 79 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 10 22 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 32 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 20 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 27 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 24 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 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 33 2 0 0 0 0 31 34 1 0 0 0 0 32 38 1 0 0 0 0 33 36 1 0 0 0 0 33 71 1 0 0 0 0 34 37 2 0 0 0 0 34 72 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 35 39 1 0 0 0 0 36 73 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 M END > 70237326 > 1 > 902 > 8 > 4 > 10 > AAADcfB7OYIAAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABAAAAHwgQCCAADSjBmBQyAIPAABCIQiFSEIACAAAgAAAIiIGIAIgIYDKAkTGUIAAglgCIiAcYiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > [[4-[(2S)-2-acetamido-3-[[(3S)-1-(1-cyclohexylpropyl)-2-oxo-azepan-3-yl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(3S)-1-(1-cyclohexylpropyl)-2-oxo-3-azepanyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(3S)-1-(1-cyclohexylpropyl)-2-oxoazepan-3-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(3S)-1-(1-cyclohexylpropyl)-2-oxoazepan-3-yl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(3S)-1-(1-cyclohexylpropyl)-2-oxidanylidene-azepan-3-yl]amino]-3-oxidanylidene-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid > [[4-[(2S)-2-acetamido-3-[[(3S)-1-(1-cyclohexylpropyl)-2-keto-azepan-3-yl]amino]-3-keto-propyl]phenyl]-difluoro-methyl]phosphonic acid > InChI=1S/C27H40F2N3O6P/c1-3-24(20-9-5-4-6-10-20)32-16-8-7-11-22(26(32)35)31-25(34)23(30-18(2)33)17-19-12-14-21(15-13-19)27(28,29)39(36,37)38/h12-15,20,22-24H,3-11,16-17H2,1-2H3,(H,30,33)(H,31,34)(H2,36,37,38)/t22-,23-,24?/m0/s1 > ISNRGMGBTNIHHG-NTZARQNWSA-N > 3.3 > 571.26227933 > C27H40F2N3O6P > 571.6 > CCC(C1CCCCC1)N2CCCCC(C2=O)NC(=O)C(CC3=CC=C(C=C3)C(F)(F)P(=O)(O)O)NC(=O)C > CCC(C1CCCCC1)N2CCCC[C@@H](C2=O)NC(=O)[C@H](CC3=CC=C(C=C3)C(F)(F)P(=O)(O)O)NC(=O)C > 136 > 571.26227933 > 0 > 39 > 2 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 11 5 29 12 6 14 20 3 31 33 8 31 34 8 33 36 8 34 37 8 35 36 8 35 37 8 $$$$