60160213 -OEChem-05082402522D 81 84 0 1 0 0 0 0 0999 V2000 13.3263 -0.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8683 -2.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6897 3.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.6012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6603 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 -1.1359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3263 0.4196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1904 0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 0.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0542 -1.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0545 1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6937 0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6870 1.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8807 1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2116 2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7116 3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6012 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 10.2617 -1.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0297 -1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0632 -0.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4131 1.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5747 -2.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4472 -2.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5337 -1.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 1.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 2.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3665 0.8905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5902 1.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7424 1.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1580 -0.2532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0058 -0.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2295 0.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2228 2.0991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3750 2.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1513 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -2.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -3.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -3.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 -3.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 -3.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7518 1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5950 2.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4594 4.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 21 1 0 0 0 0 2 34 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 28 2 0 0 0 0 6 29 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 38 2 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 9 24 1 0 0 0 0 10 28 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 6 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 23 1 6 0 0 0 14 43 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 22 1 6 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 1 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 19 46 1 0 0 0 0 22 28 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 29 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 29 35 2 0 0 0 0 30 32 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 33 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 36 1 0 0 0 0 35 74 1 0 0 0 0 36 37 2 0 0 0 0 36 75 1 0 0 0 0 37 76 1 0 0 0 0 39 40 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 M END > 60160213 > 1 > 1020 > 8 > 0 > 9 > AAADcfB7PAAAAAAAAAAAAAAAAAAAASAAAAAsWIAAAAAAAACBgAAAHgAAAAAADxzhkAYyDIMABECIAK3S2ACCCAAkIgAIiAGODMgOZj6EtTufGSjn5hGYqYed3wLPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl (3R,4aR,5R,7R)-7-tert-butyl-3-[2-(4-ethoxycarbonylpiperazin-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,7R)-7-tert-butyl-3-[2-(4-ethoxycarbonyl-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,7R)-7-tert-butyl-3-[2-(4-ethoxycarbonylpiperazin-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,7R)-7-tert-butyl-3-[2-(4-ethoxycarbonylpiperazin-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,7R)-7-tert-butyl-3-[2-(4-ethoxycarbonylpiperazin-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,7R)-7-tert-butyl-3-[2-(4-carbethoxypiperazino)-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/C29H41N3O8/c1-7-38-27(36)31-12-10-30(11-13-31)24(33)15-20-17-29(26(35)37-6)19(2)40-23(28(3,4)5)16-22(29)32(25(20)34)18-21-9-8-14-39-21/h8-9,14,16,19-20,23H,7,10-13,15,17-18H2,1-6H3/t19-,20+,23-,29+/m1/s1 > AWTNXXQYYBHIQI-RPEVRGQESA-N > 1.6 > 559.28936527 > C29H41N3O8 > 559.7 > CCOC(=O)N1CCN(CC1)C(=O)CC2CC3(C(OC(C=C3N(C2=O)CC4=CC=CO4)C(C)(C)C)C)C(=O)OC > CCOC(=O)N1CCN(CC1)C(=O)C[C@H]2C[C@@]3([C@H](O[C@H](C=C3N(C2=O)CC4=CC=CO4)C(C)(C)C)C)C(=O)OC > 119 > 559.28936527 > 0 > 40 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 21 6 14 23 6 16 22 6 17 45 5 29 35 8 35 36 8 36 37 8 6 29 8 6 37 8 $$$$