60162211 -OEChem-05112418232D 83 84 0 1 0 0 0 0 0999 V2000 14.0031 10.6200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 7.6200 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.1371 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 9.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 6.6200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4050 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 5.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1371 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4050 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9050 7.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 3.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6730 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1930 6.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7945 6.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7477 6.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3491 6.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1930 9.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7945 9.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3491 7.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7477 8.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8725 4.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6696 4.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4050 8.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7850 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4050 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3681 7.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5950 6.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4420 6.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 1.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2836 2.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2055 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4084 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 10.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6309 3.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 2.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4270 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6309 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 13.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 22 2 0 0 0 0 3 23 2 0 0 0 0 4 39 1 0 0 0 0 4 82 1 0 0 0 0 5 40 1 0 0 0 0 5 83 1 0 0 0 0 6 39 2 0 0 0 0 7 40 2 0 0 0 0 12 8 1 1 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 53 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 23 1 0 0 0 0 25 11 1 1 0 0 0 11 60 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 41 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 19 1 0 0 0 0 15 23 1 1 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 22 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 24 29 1 0 0 0 0 24 30 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 61 1 0 0 0 0 26 28 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 64 1 0 0 0 0 27 65 1 0 0 0 0 28 34 1 0 0 0 0 28 35 1 0 0 0 0 28 66 1 0 0 0 0 29 32 2 0 0 0 0 30 33 1 0 0 0 0 30 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 36 1 0 0 0 0 32 71 1 0 0 0 0 33 36 2 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 79 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 37 80 1 0 0 0 0 38 40 1 0 0 0 0 38 81 1 0 0 0 0 M END > 60162211 > 1 > 775 > 8 > 4 > 9 > AAADcfB7uAAEAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABAAAAHgIQCAAADarBkCQyyIPAAgCIACXSWACCAAAhBwAIiIGIZsgIZDrB07HUMAhglgDI2YccAQAMAAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-N-[(1R)-1-ethyl-3-methyl-butyl]piperidine-3-carboxamide;fumaric acid > (E)-2-butenedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-N-[(3R)-5-methylhexan-3-yl]-3-piperidinecarboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(3R)-5-methylhexan-3-yl]piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(3R)-5-methylhexan-3-yl]piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxidanylidene-piperazin-1-yl]-N-[(3R)-5-methylhexan-3-yl]piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-5-keto-2,2-dimethyl-piperazino]-N-[(1R)-1-ethyl-3-methyl-butyl]nipecotamide;fumaric acid > InChI=1S/C25H39ClN4O2.C4H4O4/c1-6-19(11-17(2)3)28-24(32)18-12-20(14-27-13-18)30-15-23(31)29(16-25(30,4)5)22-10-8-7-9-21(22)26;5-3(6)1-2-4(7)8/h7-10,17-20,27H,6,11-16H2,1-5H3,(H,28,32);1-2H,(H,5,6)(H,7,8)/b;2-1+/t18-,19+,20+;/m0./s1 > HYWUZEVEGAAFTO-KHGYOYFQSA-N > 578.2871128 > C29H43ClN4O6 > 579.1 > CCC(CC(C)C)NC(=O)C1CC(CNC1)N2CC(=O)N(CC2(C)C)C3=CC=CC=C3Cl.C(=CC(=O)O)C(=O)O > CC[C@H](CC(C)C)NC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)C3=CC=CC=C3Cl.C(=C/C(=O)O)\C(=O)O > 139 > 578.2871128 > 0 > 40 > 3 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 25 11 5 15 23 5 24 29 8 24 30 8 29 32 8 30 33 8 32 36 8 33 36 8 12 8 5 $$$$