53301042 -OEChem-04262405282D 80 84 0 1 0 0 0 0 0999 V2000 5.0567 1.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 -1.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 1.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9829 2.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1752 3.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1675 5.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0846 -1.4983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7150 2.0638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 0.0363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0846 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 0.0571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1906 -0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 0.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -1.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -2.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8509 1.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9332 -3.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9216 -4.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8050 -2.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 2.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7818 -4.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7111 3.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 -3.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0058 -4.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6536 -4.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7858 -5.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5752 3.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9858 -5.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8818 -6.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4432 3.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5714 4.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3073 3.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4355 5.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3034 4.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0393 3.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1636 6.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4782 1.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 1.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 1.0464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 1.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -0.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 1.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 0.5753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -0.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -0.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 -2.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 -1.5026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -1.9846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0690 -0.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4649 0.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4637 -2.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8543 -3.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2531 1.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8121 -1.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6767 2.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 3.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 2.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4968 3.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1010 2.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2056 -2.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4762 -4.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1869 -4.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3228 -5.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 -5.8476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 -6.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4456 2.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0332 4.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4331 5.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3514 3.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5750 3.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7272 4.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7836 6.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1613 6.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5436 6.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 26 1 0 0 0 0 2 15 2 0 0 0 0 3 17 2 0 0 0 0 4 22 2 0 0 0 0 5 38 1 0 0 0 0 5 41 1 0 0 0 0 6 40 1 0 0 0 0 6 42 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 28 1 0 0 0 0 8 59 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 1 0 0 0 10 12 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 14 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 1 0 0 0 12 47 1 0 0 0 0 13 18 2 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 16 19 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 27 1 0 0 0 0 24 30 2 0 0 0 0 25 29 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 31 1 0 0 0 0 27 32 2 0 0 0 0 28 33 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 31 2 0 0 0 0 29 66 1 0 0 0 0 30 34 1 0 0 0 0 30 67 1 0 0 0 0 31 68 1 0 0 0 0 32 35 1 0 0 0 0 32 69 1 0 0 0 0 33 36 2 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 36 38 1 0 0 0 0 36 72 1 0 0 0 0 37 39 2 0 0 0 0 37 73 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 M END > 53301042 > 1 > 999 > 6 > 1 > 10 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEABAAAAADBVAAAHgAQAAAADwzBmAYyDsPABACIAiXSWACCCAAgIgAIiIEOjIgNJjqEsRuEMCpm1hGKqAe93/KPoAADAAAQQABAAAYAACCAAAAAAAAAAA== > methyl (3S,4aS)-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-1-(1-naphthylmethyl)-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate > (3S,4aS)-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-(1-naphthalenylmethyl)-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester > methyl (3S,4aS)-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-(naphthalen-1-ylmethyl)-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate > methyl (3S,4aS)-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-1-(naphthalen-1-ylmethyl)-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate > methyl (3S,4aS)-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-1-(naphthalen-1-ylmethyl)-2-oxidanylidene-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate > (3S,4aS)-2-keto-3-[2-keto-2-(veratrylamino)ethyl]-1-(1-naphthylmethyl)-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester > InChI=1S/C34H38N2O6/c1-40-28-16-15-23(18-29(28)41-2)21-35-31(37)19-26-20-34(33(39)42-3)17-8-4-5-14-30(34)36(32(26)38)22-25-12-9-11-24-10-6-7-13-27(24)25/h6-7,9-16,18,26H,4-5,8,17,19-22H2,1-3H3,(H,35,37)/t26-,34+/m1/s1 > QRPRRZJFEBFTLC-SFRLIIPVSA-N > 4.8 > 570.27298694 > C34H38N2O6 > 570.7 > COC1=C(C=C(C=C1)CNC(=O)CC2CC3(CCCCC=C3N(C2=O)CC4=CC=CC5=CC=CC=C54)C(=O)OC)OC > COC1=C(C=C(C=C1)CNC(=O)C[C@@H]2C[C@]3(CCCCC=C3N(C2=O)CC4=CC=CC5=CC=CC=C54)C(=O)OC)OC > 94.2 > 570.27298694 > 0 > 42 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 20 5 23 24 8 23 25 8 24 27 8 24 30 8 25 29 8 27 31 8 27 32 8 29 31 8 30 34 8 32 35 8 33 36 8 33 37 8 34 35 8 36 38 8 37 39 8 38 40 8 39 40 8 9 17 5 $$$$