44202534 -OEChem-05132414082D 84 87 0 1 0 0 0 0 0999 V2000 8.4853 -5.0630 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6468 -5.8697 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4535 -4.7081 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6206 2.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4848 2.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0584 5.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9371 -1.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3263 3.2497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2497 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.6416 -1.6258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5603 3.8925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7942 3.2497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5603 3.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1923 3.7497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2183 4.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 2.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1206 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0603 1.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1923 4.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0584 3.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2569 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3124 0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4642 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4854 -0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8781 -2.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0555 -3.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2920 -3.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4694 -4.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9614 4.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2323 2.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0783 4.2332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3825 4.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 4.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 4.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1923 3.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8009 5.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0062 5.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6356 4.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0360 0.7799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6033 1.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9803 5.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5818 4.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7484 2.7128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5953 2.9397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3684 3.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 4.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 4.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 2.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8420 -0.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7323 0.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0089 -0.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0584 5.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2251 -1.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.5597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3676 -3.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6373 -3.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9799 -3.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7102 -4.1158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 41 1 0 0 0 0 3 41 1 0 0 0 0 4 12 1 0 0 0 0 4 19 1 0 0 0 0 5 17 2 0 0 0 0 6 21 1 0 0 0 0 6 70 1 0 0 0 0 7 35 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 14 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 28 1 0 0 0 0 10 35 1 0 0 0 0 10 73 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 1 0 0 0 11 45 1 0 0 0 0 12 14 1 1 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 6 0 0 0 15 51 1 0 0 0 0 16 52 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 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 25 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 27 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 28 2 0 0 0 0 25 67 1 0 0 0 0 26 29 2 0 0 0 0 26 68 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 69 1 0 0 0 0 30 32 1 0 0 0 0 30 71 1 0 0 0 0 31 33 2 0 0 0 0 31 72 1 0 0 0 0 32 34 2 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 33 75 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 41 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 42 1 0 0 0 0 39 80 1 0 0 0 0 40 43 2 0 0 0 0 40 81 1 0 0 0 0 42 44 2 0 0 0 0 42 82 1 0 0 0 0 43 44 1 0 0 0 0 43 83 1 0 0 0 0 44 84 1 0 0 0 0 M END > 44202534 > 1 > 907 > 8 > 2 > 10 > AAADcfB/OYAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAFgBUAAAHwAQCAAADTzhmBYyxoPABgCIAiVSUACCCAAhIgAIiAEObIgONjLEtZuHeCjm1hHY6Ae6yeCewEAAQAAIAACAgACAABAAAAAAAAAAAA== > 4,4,4-trifluoro-N-[(2R,3S)-5-[(1S)-2-hydroxy-1-methyl-ethyl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide > 4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide > 4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide > 4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide > 4,4,4-tris(fluoranyl)-N-[(2R,3S)-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxidanylidene-5-[(2S)-1-oxidanylpropan-2-yl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide > 4,4,4-trifluoro-N-[(2R,3S)-5-[(1S)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-2-[[methyl-(4-phenylbenzyl)amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butyramide > InChI=1S/C34H40F3N3O4/c1-23-19-40(24(2)22-41)33(43)18-28-17-29(38-32(42)15-16-34(35,36)37)13-14-30(28)44-31(23)21-39(3)20-25-9-11-27(12-10-25)26-7-5-4-6-8-26/h4-14,17,23-24,31,41H,15-16,18-22H2,1-3H3,(H,38,42)/t23-,24-,31-/m0/s1 > DFSBUGSUDBGGAL-MKGJDZFWSA-N > 5.4 > 611.29709125 > C34H40F3N3O4 > 611.7 > CC1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)OC1CN(C)CC3=CC=C(C=C3)C4=CC=CC=C4)C(C)CO > C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H]1CN(C)CC3=CC=C(C=C3)C4=CC=CC=C4)[C@@H](C)CO > 82.1 > 611.29709125 > 0 > 44 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 16 5 12 14 5 15 22 6 19 20 8 19 26 8 20 25 8 25 28 8 26 29 8 27 30 8 27 31 8 28 29 8 30 32 8 31 33 8 32 34 8 33 34 8 36 39 8 36 40 8 39 42 8 40 43 8 42 44 8 43 44 8 $$$$