71500482 -OEChem-03292403222D 72 76 0 1 0 0 0 0 0999 V2000 5.0567 2.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 -0.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 2.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9829 2.7088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4903 3.8156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0846 -0.8466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7150 2.7155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 0.6880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0846 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 1.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 0.7088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1906 -0.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 -0.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 1.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -1.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8509 2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9332 -2.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9216 -3.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8050 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 3.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7818 -3.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7111 3.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 -2.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0058 -3.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6536 -3.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7858 -4.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9858 -4.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5752 4.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8818 -5.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6759 5.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1566 4.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6532 5.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1515 4.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4782 1.7017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 1.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 1.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 1.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 0.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 1.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 1.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 0.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -0.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 -1.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 -0.8509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -1.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0690 0.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4649 1.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4637 -1.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8543 -2.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2531 2.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8121 -1.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6767 3.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 3.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 3.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4968 4.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1010 3.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2056 -2.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4762 -3.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1869 -3.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3228 -5.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 -5.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 -6.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 5.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9032 5.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0891 3.8438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7684 4.3982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2139 5.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 25 1 0 0 0 0 2 14 2 0 0 0 0 3 16 2 0 0 0 0 4 21 2 0 0 0 0 5 33 1 0 0 0 0 5 36 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 27 1 0 0 0 0 7 55 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 1 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 13 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 6 0 0 0 11 43 1 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 15 18 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 26 1 0 0 0 0 23 29 2 0 0 0 0 24 28 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 30 1 0 0 0 0 26 31 2 0 0 0 0 27 33 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 30 2 0 0 0 0 28 62 1 0 0 0 0 29 32 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 34 1 0 0 0 0 31 65 1 0 0 0 0 32 34 2 0 0 0 0 32 66 1 0 0 0 0 33 35 2 0 0 0 0 34 67 1 0 0 0 0 35 37 1 0 0 0 0 35 68 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 M END > 71500482 > 1 > 918 > 5 > 1 > 8 > AAADcfB7OAAAAAAAAAAAAAAAAAAAASAAAAA8YIAABAAAAADB1AAAHgAQAAAADwzBmAYyDMPABECIAqXSWACCCAAkIgAIiIGODMgOJjqEtTuHOSjm1hGYqYed3+KPgAACAAAQAAAAAAQAACAAAAAAAAAAAA== > methyl (3R,4aS)-3-[2-[(5-methyl-2-furyl)methylamino]-2-oxo-ethyl]-1-(1-naphthylmethyl)-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate > (3R,4aS)-3-[2-[(5-methyl-2-furanyl)methylamino]-2-oxoethyl]-1-(1-naphthalenylmethyl)-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester > methyl (3R,4aS)-3-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-1-(naphthalen-1-ylmethyl)-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate > methyl (3R,4aS)-3-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-1-(naphthalen-1-ylmethyl)-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate > methyl (3R,4aS)-3-[2-[(5-methylfuran-2-yl)methylamino]-2-oxidanylidene-ethyl]-1-(naphthalen-1-ylmethyl)-2-oxidanylidene-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate > (3R,4aS)-2-keto-3-[2-keto-2-[(5-methyl-2-furyl)methylamino]ethyl]-1-(1-naphthylmethyl)-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester > InChI=1S/C31H34N2O5/c1-21-14-15-25(38-21)19-32-28(34)17-24-18-31(30(36)37-2)16-7-3-4-13-27(31)33(29(24)35)20-23-11-8-10-22-9-5-6-12-26(22)23/h5-6,8-15,24H,3-4,7,16-20H2,1-2H3,(H,32,34)/t24-,31-/m0/s1 > JTJIYFHUUORUAZ-DLLPINGYSA-N > 4.4 > 514.24677219 > C31H34N2O5 > 514.6 > CC1=CC=C(O1)CNC(=O)CC2CC3(CCCCC=C3N(C2=O)CC4=CC=CC5=CC=CC=C54)C(=O)OC > CC1=CC=C(O1)CNC(=O)C[C@H]2C[C@]3(CCCCC=C3N(C2=O)CC4=CC=CC5=CC=CC=C54)C(=O)OC > 88.8 > 514.24677219 > 0 > 38 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 19 6 22 23 8 22 24 8 23 26 8 23 29 8 24 28 8 26 30 8 26 31 8 28 30 8 29 32 8 31 34 8 32 34 8 33 35 8 35 37 8 36 37 8 5 33 8 5 36 8 8 16 5 $$$$