60157297 -OEChem-04232410442D 81 85 0 1 0 0 0 0 0999 V2000 13.1769 -0.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -2.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7189 -2.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7313 1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 0.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 0.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -0.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0410 0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1769 0.1696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2708 -1.3859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5109 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9561 0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1417 1.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -0.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2708 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6224 1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1190 1.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9048 -2.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5403 3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -2.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5197 1.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9139 -0.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8804 -1.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1124 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9094 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6482 -0.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4591 -0.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0745 2.2842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5217 1.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1079 -0.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2637 1.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0390 0.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1226 1.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6845 2.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9252 2.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4253 -2.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2979 -2.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3843 -1.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3803 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1774 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1215 1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7229 2.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8909 -3.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -3.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1309 -3.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 3.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5793 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7822 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 -1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 3.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4456 2.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -2.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 -2.3457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -2.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -3.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -2.0520 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 30 1 0 0 0 0 3 23 2 0 0 0 0 4 24 2 0 0 0 0 5 29 1 0 0 0 0 5 36 1 0 0 0 0 6 28 2 0 0 0 0 7 40 2 0 0 0 0 8 16 1 0 0 0 0 8 23 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 32 1 0 0 0 0 9 63 1 0 0 0 0 10 35 1 0 0 0 0 10 37 1 0 0 0 0 10 40 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 17 1 0 0 0 0 12 18 1 0 0 0 0 12 41 1 0 0 0 0 13 20 1 0 0 0 0 13 42 1 1 0 0 0 14 25 1 6 0 0 0 14 43 1 0 0 0 0 15 19 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 23 1 0 0 0 0 19 26 1 6 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 28 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 29 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 29 31 2 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 34 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 35 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 36 2 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 37 38 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 39 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 39 81 1 0 0 0 0 M END > 60157297 > 1 > 1010 > 7 > 1 > 11 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAeJEAAAsQAAAAAAAAACBgAAAHgAQAAAADxzhkAYyDIPABECIAK3S2ACCCAAkIgAIiIGODMgOJj6E9TuHGSjn9hGYqYed3wLPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl (3R,4aR,5R,7S)-7-cyclopentyl-1-(2-furylmethyl)-5-methyl-2-oxo-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]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-[3-(2-oxo-1-pyrrolidinyl)propylamino]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-[3-(2-oxopyrrolidin-1-yl)propylamino]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-[3-(2-oxopyrrolidin-1-yl)propylamino]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-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]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-[3-(2-ketopyrrolidino)propylamino]ethyl]-5-methyl-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > InChI=1S/C30H41N3O7/c1-20-30(29(37)38-2)18-22(16-26(34)31-12-7-14-32-13-5-11-27(32)35)28(36)33(19-23-10-6-15-39-23)25(30)17-24(40-20)21-8-3-4-9-21/h6,10,15,17,20-22,24H,3-5,7-9,11-14,16,18-19H2,1-2H3,(H,31,34)/t20-,22+,24-,30+/m1/s1 > XDLBQUXQDNVKAP-JMBULEGUSA-N > 1.4 > 555.29445066 > C30H41N3O7 > 555.7 > CC1C2(CC(C(=O)N(C2=CC(O1)C3CCCC3)CC4=CC=CO4)CC(=O)NCCCN5CCCC5=O)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)NCCCN5CCCC5=O)C(=O)OC > 118 > 555.29445066 > 0 > 40 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 24 6 13 42 5 14 25 6 19 26 6 29 31 8 31 34 8 34 36 8 5 29 8 5 36 8 $$$$