60160221 -OEChem-04192420302D 83 88 0 1 0 0 0 0 0999 V2000 9.8622 -0.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -2.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7263 0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.4862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9561 -1.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6414 0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8270 1.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9561 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8043 2.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5901 -1.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7614 -3.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2401 3.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4480 5.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 5.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3461 5.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2050 1.3252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 0.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5656 -1.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3335 0.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1444 0.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7598 2.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2070 1.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7243 0.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8078 1.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3697 2.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6104 2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1106 -2.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9831 -2.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0696 -1.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2865 -2.8418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3629 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 -3.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -4.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7734 3.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 5.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7863 5.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 6.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 21 1 0 0 0 0 2 28 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 26 2 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 26 1 0 0 0 0 7 31 1 0 0 0 0 7 70 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 21 1 6 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 44 1 0 0 0 0 10 17 1 0 0 0 0 10 45 1 1 0 0 0 11 22 1 6 0 0 0 11 46 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 18 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 19 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 6 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 26 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 25 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 27 1 0 0 0 0 25 29 2 0 0 0 0 27 30 1 0 0 0 0 27 33 2 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 32 1 0 0 0 0 29 69 1 0 0 0 0 30 34 1 0 0 0 0 30 35 2 0 0 0 0 31 37 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 34 2 0 0 0 0 32 73 1 0 0 0 0 33 36 1 0 0 0 0 33 74 1 0 0 0 0 34 75 1 0 0 0 0 35 38 1 0 0 0 0 35 76 1 0 0 0 0 36 38 2 0 0 0 0 36 77 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 38 78 1 0 0 0 0 39 41 1 0 0 0 0 39 79 1 0 0 0 0 40 42 2 0 0 0 0 40 80 1 0 0 0 0 41 43 2 0 0 0 0 41 81 1 0 0 0 0 42 43 1 0 0 0 0 42 82 1 0 0 0 0 43 83 1 0 0 0 0 M END > 60160221 > 1 > 1050 > 5 > 1 > 9 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAYAAAAA8YMECAAAAAADBVAAAHgAQAAAADxzhmAYyCMPABACIAiXSWACCAAAgAgAIiIEIBIgIJD6AsRGGMAhn9gCIqAed38LPgAACAAAQAAAAAAQAACAAAAAAAAAAAA== > methyl (3R,4aR,5R,7S)-3-[2-(benzylamino)-2-oxo-ethyl]-7-cyclopentyl-5-methyl-1-(1-naphthylmethyl)-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7S)-7-cyclopentyl-5-methyl-1-(1-naphthalenylmethyl)-2-oxo-3-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > methyl (3R,4aR,5R,7S)-3-[2-(benzylamino)-2-oxoethyl]-7-cyclopentyl-5-methyl-1-(naphthalen-1-ylmethyl)-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7S)-3-[2-(benzylamino)-2-oxoethyl]-7-cyclopentyl-5-methyl-1-(naphthalen-1-ylmethyl)-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > methyl (3R,4aR,5R,7S)-7-cyclopentyl-5-methyl-1-(naphthalen-1-ylmethyl)-2-oxidanylidene-3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate > (3R,4aR,5R,7S)-3-[2-(benzylamino)-2-keto-ethyl]-7-cyclopentyl-2-keto-5-methyl-1-(1-naphthylmethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylic acid methyl ester > InChI=1S/C36H40N2O5/c1-24-36(35(41)42-2)21-29(19-33(39)37-22-25-11-4-3-5-12-25)34(40)38(32(36)20-31(43-24)27-14-6-7-15-27)23-28-17-10-16-26-13-8-9-18-30(26)28/h3-5,8-13,16-18,20,24,27,29,31H,6-7,14-15,19,21-23H2,1-2H3,(H,37,39)/t24-,29+,31-,36+/m1/s1 > WENCYHFANMEOJU-DALRYCJLSA-N > 5.1 > 580.29372238 > C36H40N2O5 > 580.7 > CC1C2(CC(C(=O)N(C2=CC(O1)C3CCCC3)CC4=CC=CC5=CC=CC=C54)CC(=O)NCC6=CC=CC=C6)C(=O)OC > C[C@@H]1[C@]2(C[C@@H](C(=O)N(C2=C[C@@H](O1)C3CCCC3)CC4=CC=CC5=CC=CC=C54)CC(=O)NCC6=CC=CC=C6)C(=O)OC > 84.9 > 580.29372238 > 0 > 43 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 45 5 11 22 6 16 23 6 25 27 8 25 29 8 27 30 8 27 33 8 29 32 8 30 34 8 30 35 8 32 34 8 33 36 8 35 38 8 36 38 8 37 39 8 37 40 8 39 41 8 40 42 8 41 43 8 42 43 8 8 21 6 $$$$