60157295 -OEChem-05112411132D 81 85 0 1 0 0 0 0 0999 V2000 12.4603 -0.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0023 -2.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3244 0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 0.1696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5542 -1.3859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2395 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4250 1.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5542 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9057 1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4024 1.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1882 -2.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8237 3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8455 3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3455 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8031 1.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1972 -0.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1637 -1.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9315 -0.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7425 -0.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3579 2.2842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8051 1.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5470 1.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3224 0.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4059 1.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9678 2.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2085 2.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7087 -2.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5812 -2.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6676 -1.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 2.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 -3.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -3.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2844 3.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5934 3.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7289 2.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 1.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 1.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 23 1 0 0 0 0 2 29 1 0 0 0 0 3 22 2 0 0 0 0 4 23 2 0 0 0 0 5 28 1 0 0 0 0 5 33 1 0 0 0 0 6 27 2 0 0 0 0 7 36 1 0 0 0 0 7 41 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 31 1 0 0 0 0 9 67 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 23 1 6 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 42 1 0 0 0 0 12 19 1 0 0 0 0 12 43 1 1 0 0 0 13 24 1 6 0 0 0 13 44 1 0 0 0 0 14 18 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 21 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 6 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 28 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 28 30 2 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 32 1 0 0 0 0 30 68 1 0 0 0 0 31 34 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 35 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 37 39 1 0 0 0 0 37 75 1 0 0 0 0 38 40 1 0 0 0 0 38 76 1 0 0 0 0 39 40 2 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 M END > 60157295 > 1 > 979 > 7 > 1 > 11 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAaIAAAA8QIAAAAAAAACBwAAAHgAQAAAADxzhmAYyDoPABECIAq3S2ACCCAAkIgAIiIGODMgOJj6EtTuHOSjn9hGYqYe936LPAAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > methyl (3R,4aR,5R,7S)-7-cyclopentyl-1-(2-furylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl]-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7S)-7-cyclopentyl-1-(2-furanylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-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-1-(furan-2-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7S)-7-cyclopentyl-1-(furan-2-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7S)-7-cyclopentyl-1-(furan-2-ylmethyl)-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-5-methyl-2-oxidanylidene-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7S)-7-cyclopentyl-1-(2-furfuryl)-2-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]-5-methyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > InChI=1S/C32H40N2O7/c1-21-32(31(37)39-3)19-24(17-29(35)33-15-14-23-11-6-7-13-26(23)38-2)30(36)34(20-25-12-8-16-40-25)28(32)18-27(41-21)22-9-4-5-10-22/h6-8,11-13,16,18,21-22,24,27H,4-5,9-10,14-15,17,19-20H2,1-3H3,(H,33,35)/t21-,24+,27-,32+/m1/s1 > HZDBLMDAFPNYLO-HYXSVQGSSA-N > 3.4 > 564.28355162 > C32H40N2O7 > 564.7 > CC1C2(CC(C(=O)N(C2=CC(O1)C3CCCC3)CC4=CC=CO4)CC(=O)NCCC5=CC=CC=C5OC)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)NCCC5=CC=CC=C5OC)C(=O)OC > 107 > 564.28355162 > 0 > 41 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 23 6 12 43 5 13 24 6 18 25 6 28 30 8 30 32 8 32 33 8 35 36 8 35 37 8 36 38 8 37 39 8 38 40 8 39 40 8 5 28 8 5 33 8 $$$$