60157300 -OEChem-05012417422D 82 87 0 1 0 0 0 0 0999 V2000 12.5942 -0.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -2.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1362 -2.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 0.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1486 1.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 0.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -0.6012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4583 0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5942 0.4196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6882 -1.1359 0.0000 C 0 0 1 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 10.7942 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -0.6012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3734 0.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5590 1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6882 0.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0397 1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5364 2.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3221 -1.9092 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 9.9282 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1012 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 3.8660 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.6012 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 9.9282 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9576 3.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9795 3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4795 2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9371 1.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3312 -0.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2977 -1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5297 -1.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3267 -1.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5252 -0.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0655 -0.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8764 0.1572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4918 2.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9390 1.9155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6810 1.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4563 0.8063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5399 1.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1018 2.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3425 2.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7976 -1.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5947 -1.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8426 -2.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7152 -2.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8016 -1.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 -2.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5388 1.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1403 2.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -1.8892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -2.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9966 -0.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1996 -0.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 -2.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -1.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -0.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -1.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1996 -3.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9966 -3.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3082 -3.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -3.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5482 -3.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4184 3.8082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7273 4.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8629 2.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 38 1 0 0 0 0 3 23 2 0 0 0 0 4 24 2 0 0 0 0 5 31 2 0 0 0 0 6 32 2 0 0 0 0 7 37 1 0 0 0 0 7 41 1 0 0 0 0 8 16 1 0 0 0 0 8 23 1 0 0 0 0 8 28 1 0 0 0 0 9 31 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 32 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 24 1 6 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 42 1 0 0 0 0 13 20 1 0 0 0 0 13 43 1 1 0 0 0 14 26 1 6 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 20 2 0 0 0 0 17 23 1 0 0 0 0 17 25 1 6 0 0 0 17 47 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 25 31 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 27 62 1 0 0 0 0 28 37 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 33 35 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 36 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 37 39 2 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 40 1 0 0 0 0 39 80 1 0 0 0 0 40 41 2 0 0 0 0 40 81 1 0 0 0 0 41 82 1 0 0 0 0 M END > 60157300 > 1 > 1080 > 7 > 0 > 8 > AAADcfB7OAAAAAAAAAAAAAAAGAAAAaIAAAAsWIAAAAAAAACBgAAAHgAAAAAADxzhkAYyDIMABECIAK3S2ACCCAAkIgAIiAGODMgOZj6EtTuXGSjn5hGYqYed3wLPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl (3R,4aR,5R,7S)-7-cyclopentyl-3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxo-ethyl]-1-(2-furylmethyl)-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7S)-7-cyclopentyl-3-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-1-(2-furanylmethyl)-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > methyl (3R,4aR,5R,7S)-7-cyclopentyl-3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7S)-7-cyclopentyl-3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7S)-7-cyclopentyl-3-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1-(furan-2-ylmethyl)-5-methyl-2-oxidanylidene-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7S)-7-cyclopentyl-3-[2-[4-(cyclopropanecarbonyl)piperazino]-2-keto-ethyl]-1-(2-furfuryl)-2-keto-5-methyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > InChI=1S/C31H41N3O7/c1-20-31(30(38)39-2)18-23(16-27(35)32-11-13-33(14-12-32)28(36)22-9-10-22)29(37)34(19-24-8-5-15-40-24)26(31)17-25(41-20)21-6-3-4-7-21/h5,8,15,17,20-23,25H,3-4,6-7,9-14,16,18-19H2,1-2H3/t20-,23+,25-,31+/m1/s1 > UGRYZPDDEXMVNW-OEFJALJLSA-N > 1.4 > 567.29445066 > C31H41N3O7 > 567.7 > CC1C2(CC(C(=O)N(C2=CC(O1)C3CCCC3)CC4=CC=CO4)CC(=O)N5CCN(CC5)C(=O)C6CC6)C(=O)OC > C[C@@H]1[C@]2(C[C@@H](C(=O)N(C2=C[C@@H](O1)C3CCCC3)CC4=CC=CO4)CC(=O)N5CCN(CC5)C(=O)C6CC6)C(=O)OC > 110 > 567.29445066 > 0 > 41 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 24 6 13 43 5 14 26 6 17 25 6 37 39 8 39 40 8 40 41 8 7 37 8 7 41 8 $$$$