9956146 -OEChem-05062403532D 73 76 0 1 0 0 0 0 0999 V2000 14.2644 3.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -2.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -4.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 0.7183 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8003 -1.2817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -3.7817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 1.7183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3984 2.2183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2644 0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 1.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 0.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 0.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7644 2.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2644 1.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 3.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -0.7817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5323 -1.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7644 2.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 -2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 -0.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2644 3.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7644 4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -2.7817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7644 4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -2.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -4.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -3.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -2.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -2.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -3.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8614 2.5283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4765 0.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8750 0.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3203 2.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9218 1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9998 -0.2567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7969 -0.2567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4543 0.8009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0558 0.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2644 1.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8844 1.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2644 2.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0184 3.2183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 3.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7784 3.2183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1294 -0.4717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0693 -1.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0744 2.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6444 3.4503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2634 -0.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9124 -2.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 -2.9017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1524 -2.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7084 -1.3186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9353 -0.4717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0884 -0.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4712 -3.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4544 4.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0744 4.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4668 -1.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6697 -1.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4712 -4.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6697 -4.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4668 -4.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5744 3.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -4.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 -2.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 69 1 0 0 0 0 2 23 2 0 0 0 0 3 34 1 0 0 0 0 3 73 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 16 5 1 6 0 0 0 5 23 1 0 0 0 0 5 54 1 0 0 0 0 6 25 1 0 0 0 0 6 29 1 0 0 0 0 6 66 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 1 0 0 0 8 10 1 0 0 0 0 8 15 1 6 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 16 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 18 22 1 0 0 0 0 18 52 1 0 0 0 0 19 24 2 0 0 0 0 19 53 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 26 2 0 0 0 0 25 23 1 6 0 0 0 24 26 1 0 0 0 0 24 62 1 0 0 0 0 25 27 1 0 0 0 0 25 61 1 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 31 70 1 0 0 0 0 32 34 2 0 0 0 0 32 71 1 0 0 0 0 33 34 1 0 0 0 0 33 72 1 0 0 0 0 M END > 9956146 > 1 > 688 > 5 > 4 > 6 > AAADcfB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACxQAAAHgAQCAAADyzBmAQyBoPAAgCIAiFSEACCAAAgIAAIiIGODIgIZjKCkTOUcAhk1hGImAe4yPCPoAABAAAQAABAAAIAACAAAAAAAAAAAA== > (3R)-7-hydroxy-N-[(1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]methyl]-2-methyl-propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide > (3R)-7-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide > (3R)-7-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide > (3R)-7-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide > (3R)-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-3-methyl-butan-2-yl]-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide > (3R)-7-hydroxy-N-[(1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]methyl]-2-methyl-propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide > InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1 > ZLVXBBHTMQJRSX-VMGNSXQWSA-N > 4.6 > 465.29914211 > C28H39N3O3 > 465.6 > CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(C(C)C)NC(=O)C3CC4=C(CN3)C=C(C=C4)O > C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](C(C)C)NC(=O)[C@H]3CC4=C(CN3)C=C(C=C4)O > 84.8 > 465.29914211 > 0 > 34 > 4 > 0 > 0 > 0 > 0 > 1 > 16 > 1 5 255 > 13 18 8 13 19 8 18 22 8 19 24 8 22 26 8 25 23 6 24 26 8 28 30 8 28 31 8 30 32 8 31 33 8 32 34 8 33 34 8 16 5 6 7 14 5 8 15 6 $$$$