60160236 -OEChem-04262405372D 88 94 0 1 0 0 0 0 0999 V2000 7.9648 3.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.6438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8976 1.4702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.6438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.8562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.1438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2849 -4.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7576 -5.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -4.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2849 -3.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7576 -4.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -3.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6633 -5.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -5.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7757 -5.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9435 2.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9568 2.6507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0468 2.1438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8792 2.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7170 3.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.6438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3147 -0.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0627 4.2131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3147 1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1647 3.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0589 5.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9230 5.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 5.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8774 -4.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 -5.8449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 -4.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8955 -3.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 -3.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -3.6783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 -4.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4005 -3.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 -3.9466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3539 -6.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1884 -6.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0788 -5.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 -5.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2945 -4.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 -5.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2367 -1.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 -2.4638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -2.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8824 2.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5094 3.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7645 1.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4992 2.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3020 3.6521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4132 3.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2588 0.5612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6574 1.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 0.3338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3928 -0.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 -0.2485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 4.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6242 3.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5970 4.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 3.1188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 3.1188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 5.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4587 6.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6109 6.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4988 6.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6528 6.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 5.1716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 -0.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 -0.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0888 0.6808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 3.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 30 1 0 0 0 0 2 27 2 0 0 0 0 3 32 1 0 0 0 0 3 39 1 0 0 0 0 4 32 2 0 0 0 0 5 31 2 0 0 0 0 6 38 1 0 0 0 0 6 42 1 0 0 0 0 7 19 1 0 0 0 0 7 27 1 0 0 0 0 7 60 1 0 0 0 0 8 28 1 0 0 0 0 8 31 1 0 0 0 0 8 35 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 43 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 44 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 61 1 0 0 0 0 21 22 1 0 0 0 0 21 62 1 1 0 0 0 22 25 1 0 0 0 0 22 28 1 0 0 0 0 22 32 1 6 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 26 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 29 1 6 0 0 0 26 31 1 0 0 0 0 26 69 1 0 0 0 0 27 29 1 0 0 0 0 28 33 2 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 33 1 0 0 0 0 30 34 1 6 0 0 0 30 72 1 0 0 0 0 33 73 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 34 74 1 0 0 0 0 35 38 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 38 40 2 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 40 41 1 0 0 0 0 40 86 1 0 0 0 0 41 42 2 0 0 0 0 41 87 1 0 0 0 0 42 88 1 0 0 0 0 M END > 60160236 > 1 > 1090 > 6 > 1 > 10 > AAADcfB/OAAAAAAAAAAAAAAAGAAAASAAAAA8YMGCAAAAAACBgAAAHgAQAAAADxzhkAYyDIPABECIAK3S2ACCCAAkIgAIiIGODMgOJj6EtTuHGSjn9hGYqYed38LPAAAAAAAAAAAAAAQAAAAAAAAAAAAAAA== > methyl (3R,4aR,5R,7S)-3-[2-(1-adamantylmethylamino)-2-oxo-ethyl]-5-cyclopropyl-1-(2-furylmethyl)-7-isopropyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7S)-3-[2-(1-adamantylmethylamino)-2-oxoethyl]-5-cyclopropyl-1-(2-furanylmethyl)-2-oxo-7-propan-2-yl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > methyl (3R,4aR,5R,7S)-3-[2-(1-adamantylmethylamino)-2-oxoethyl]-5-cyclopropyl-1-(furan-2-ylmethyl)-2-oxo-7-propan-2-yl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7S)-3-[2-(1-adamantylmethylamino)-2-oxoethyl]-5-cyclopropyl-1-(furan-2-ylmethyl)-2-oxo-7-propan-2-yl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7S)-3-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-5-cyclopropyl-1-(furan-2-ylmethyl)-2-oxidanylidene-7-propan-2-yl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7S)-3-[2-(1-adamantylmethylamino)-2-keto-ethyl]-5-cyclopropyl-1-(2-furfuryl)-7-isopropyl-2-keto-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > InChI=1S/C34H46N2O6/c1-20(2)27-13-28-34(32(39)40-3,30(42-27)24-6-7-24)17-25(31(38)36(28)18-26-5-4-8-41-26)12-29(37)35-19-33-14-21-9-22(15-33)11-23(10-21)16-33/h4-5,8,13,20-25,27,30H,6-7,9-12,14-19H2,1-3H3,(H,35,37)/t21?,22?,23?,25-,27+,30+,33?,34+/m0/s1 > YSKYRIIZSJADET-DPLZXBKHSA-N > 4.3 > 578.33558719 > C34H46N2O6 > 578.7 > CC(C)C1C=C2C(CC(C(=O)N2CC3=CC=CO3)CC(=O)NCC45CC6CC(C4)CC(C6)C5)(C(O1)C7CC7)C(=O)OC > CC(C)[C@H]1C=C2[C@](C[C@@H](C(=O)N2CC3=CC=CO3)CC(=O)NCC45CC6CC(C4)CC(C6)C5)([C@H](O1)C7CC7)C(=O)OC > 98.1 > 578.33558719 > 0 > 42 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 62 5 22 32 6 26 29 6 30 34 6 38 40 8 40 41 8 41 42 8 6 38 8 6 42 8 $$$$