60160046 -OEChem-04262406172D 83 87 0 1 0 0 0 0 0999 V2000 14.1923 -0.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7343 -2.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7467 1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0564 0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 0.1696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2862 -1.3859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9715 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1571 1.6678 0.0000 C 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 13.2862 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6378 1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1344 1.8795 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 12.3923 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9202 -2.1592 0.0000 C 0 0 0 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 11.5263 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5557 3.1433 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 9.5776 3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0776 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3512 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 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 2.8660 -1.3512 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 2.0000 -0.8512 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 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5351 1.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9293 -0.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8958 -1.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6636 -0.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4745 -0.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0899 2.2842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5371 1.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2791 1.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0544 0.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1380 1.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6999 2.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9406 2.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4407 -2.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3133 -2.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3997 -1.7662 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 12.1369 1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 2.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 -3.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 -3.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0165 3.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3254 3.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4610 2.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.8262 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 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 4.2690 0.4588 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 2.8660 1.2688 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 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 22 1 0 0 0 0 2 28 1 0 0 0 0 3 21 2 0 0 0 0 4 22 2 0 0 0 0 5 27 1 0 0 0 0 5 32 1 0 0 0 0 6 26 2 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 30 1 0 0 0 0 8 64 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 22 1 6 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 42 1 0 0 0 0 11 18 1 0 0 0 0 11 43 1 1 0 0 0 12 23 1 6 0 0 0 12 44 1 0 0 0 0 13 17 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 20 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 6 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 26 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 27 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 27 29 2 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 31 1 0 0 0 0 29 68 1 0 0 0 0 30 33 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 32 2 0 0 0 0 31 71 1 0 0 0 0 32 72 1 0 0 0 0 33 34 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 35 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 36 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 79 1 0 0 0 0 38 40 2 0 0 0 0 38 80 1 0 0 0 0 39 41 2 0 0 0 0 39 81 1 0 0 0 0 40 41 1 0 0 0 0 40 82 1 0 0 0 0 41 83 1 0 0 0 0 M END > 60160046 > 1 > 955 > 6 > 1 > 12 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAaIAAAA8QIAAAAAAAACBwAAAHgAQAAAADxzhmAYyDIPABECIAq3S2ACCCAAkIgAIiIGODMgOJj6EtTuHOSjn9hGYqYed34LPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl (3R,4aR,5R,7S)-7-cyclopentyl-1-(2-furylmethyl)-5-methyl-2-oxo-3-[2-oxo-2-(4-phenylbutylamino)ethyl]-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7S)-7-cyclopentyl-1-(2-furanylmethyl)-5-methyl-2-oxo-3-[2-oxo-2-(4-phenylbutylamino)ethyl]-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)-5-methyl-2-oxo-3-[2-oxo-2-(4-phenylbutylamino)ethyl]-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7S)-7-cyclopentyl-1-(furan-2-ylmethyl)-5-methyl-2-oxo-3-[2-oxo-2-(4-phenylbutylamino)ethyl]-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7S)-7-cyclopentyl-1-(furan-2-ylmethyl)-5-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-phenylbutylamino)ethyl]-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-(4-phenylbutylamino)ethyl]-5-methyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > InChI=1S/C33H42N2O6/c1-23-33(32(38)39-2)21-26(19-30(36)34-17-9-8-13-24-11-4-3-5-12-24)31(37)35(22-27-16-10-18-40-27)29(33)20-28(41-23)25-14-6-7-15-25/h3-5,10-12,16,18,20,23,25-26,28H,6-9,13-15,17,19,21-22H2,1-2H3,(H,34,36)/t23-,26+,28-,33+/m1/s1 > YKGIEDDZDKOXIE-JSNKROLZSA-N > 4.1 > 562.30428706 > C33H42N2O6 > 562.7 > CC1C2(CC(C(=O)N(C2=CC(O1)C3CCCC3)CC4=CC=CO4)CC(=O)NCCCCC5=CC=CC=C5)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)NCCCCC5=CC=CC=C5)C(=O)OC > 98.1 > 562.30428706 > 0 > 41 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 43 5 12 23 6 17 24 6 27 29 8 29 31 8 31 32 8 36 37 8 36 38 8 37 39 8 38 40 8 39 41 8 40 41 8 5 27 8 5 32 8 9 22 6 $$$$