60157084 -OEChem-05072416322D 81 85 0 1 0 0 0 0 0999 V2000 2.0000 -3.1012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.1012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.1012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7282 -0.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2702 -2.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4602 0.9263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2826 2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.1012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0622 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8221 -0.6359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9282 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.1012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1962 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7282 0.9196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8221 1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4561 -1.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5923 1.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0916 3.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3243 1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1135 4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6135 3.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1923 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0564 1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1961 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9243 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0641 -0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9282 -0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6636 -1.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4607 -1.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4317 -0.7494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2657 0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8150 2.0534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9316 -1.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7287 -1.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9766 -1.8023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8492 -1.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9356 -1.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6728 2.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2742 2.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9890 1.8994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1919 1.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4422 -2.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -3.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6822 -2.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5524 4.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7210 1.9061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9240 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1306 0.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 0.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8613 4.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9969 3.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0540 2.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6604 -0.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -0.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4601 1.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0665 -1.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4663 -0.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 46 1 0 0 0 0 2 46 1 0 0 0 0 3 46 1 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 5 21 1 0 0 0 0 5 28 1 0 0 0 0 6 18 2 0 0 0 0 7 21 2 0 0 0 0 8 25 1 0 0 0 0 8 30 1 0 0 0 0 9 27 1 0 0 0 0 9 33 1 0 0 0 0 10 26 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 24 1 0 0 0 0 12 26 1 0 0 0 0 12 31 1 0 0 0 0 12 62 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 21 1 6 0 0 0 14 17 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 23 1 6 0 0 0 15 49 1 0 0 0 0 16 20 2 0 0 0 0 17 18 1 0 0 0 0 17 22 1 6 0 0 0 17 50 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 6 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 22 26 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 27 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 27 29 2 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 32 1 0 0 0 0 29 66 1 0 0 0 0 30 34 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 35 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 33 2 0 0 0 0 32 71 1 0 0 0 0 33 72 1 0 0 0 0 34 37 2 0 0 0 0 34 38 1 0 0 0 0 35 36 2 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 36 73 1 0 0 0 0 37 42 1 0 0 0 0 37 74 1 0 0 0 0 38 43 2 0 0 0 0 38 75 1 0 0 0 0 39 41 2 0 0 0 0 39 76 1 0 0 0 0 40 44 2 0 0 0 0 40 46 1 0 0 0 0 41 44 1 0 0 0 0 41 77 1 0 0 0 0 42 45 2 0 0 0 0 42 78 1 0 0 0 0 43 45 1 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 45 81 1 0 0 0 0 M END > 60157084 > 1 > 1110 > 10 > 1 > 12 > AAADcfB/OYAAAAAAAAAAAAAAAAAAASAAAAA8YIEAAAAAAACB0AAAHwAQAAAADxzhmBYyDIPABECIAq3S2ACCCAAkIgAIiIGODMgPJj6EtTuHOSjn9hGaqYed32LPAAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > methyl (3R,4aR,5R,7R)-7-(benzyloxymethyl)-1-(2-furylmethyl)-5-methyl-2-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7R)-1-(2-furanylmethyl)-5-methyl-2-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > methyl (3R,4aR,5R,7R)-1-(furan-2-ylmethyl)-5-methyl-2-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7R)-1-(furan-2-ylmethyl)-5-methyl-2-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7R)-1-(furan-2-ylmethyl)-5-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7R)-7-(benzoxymethyl)-1-(2-furfuryl)-2-keto-3-[2-keto-2-[[3-(trifluoromethyl)benzyl]amino]ethyl]-5-methyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > InChI=1S/C34H35F3N2O7/c1-22-33(32(42)43-2)17-25(15-30(40)38-18-24-10-6-11-26(14-24)34(35,36)37)31(41)39(19-27-12-7-13-45-27)29(33)16-28(46-22)21-44-20-23-8-4-3-5-9-23/h3-14,16,22,25,28H,15,17-21H2,1-2H3,(H,38,40)/t22-,25+,28-,33+/m1/s1 > IKMVIOPGFFRNOP-LTJKKWLXSA-N > 3.4 > 640.23963595 > C34H35F3N2O7 > 640.6 > CC1C2(CC(C(=O)N(C2=CC(O1)COCC3=CC=CC=C3)CC4=CC=CO4)CC(=O)NCC5=CC(=CC=C5)C(F)(F)F)C(=O)OC > C[C@@H]1[C@]2(C[C@@H](C(=O)N(C2=C[C@@H](O1)COCC3=CC=CC=C3)CC4=CC=CO4)CC(=O)NCC5=CC(=CC=C5)C(F)(F)F)C(=O)OC > 107 > 640.23963595 > 0 > 46 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 21 6 15 23 6 17 22 6 19 25 6 27 29 8 29 32 8 32 33 8 34 37 8 34 38 8 35 36 8 35 39 8 36 40 8 37 42 8 38 43 8 39 41 8 40 44 8 41 44 8 42 45 8 43 45 8 9 27 8 9 33 8 $$$$