71457605 -OEChem-04262418232D 89 90 0 1 0 0 0 0 0999 V2000 14.8691 10.6200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 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 13.1371 7.6200 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.0031 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 9.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 6.6200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2711 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 5.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0031 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2711 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7711 7.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 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 12.6001 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0590 6.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6605 6.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6137 6.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2152 6.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0590 9.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6605 9.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2152 7.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6137 8.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7386 4.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5356 4.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5400 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2711 8.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6511 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2711 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2341 7.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4611 6.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3080 6.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9420 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9284 2.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3270 1.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0715 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2745 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 10.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7850 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0250 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5811 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9611 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 4.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6309 3.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4270 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5400 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 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 30 1 0 0 0 0 2 22 2 0 0 0 0 3 23 2 0 0 0 0 4 41 1 0 0 0 0 4 88 1 0 0 0 0 5 42 1 0 0 0 0 5 89 1 0 0 0 0 6 41 2 0 0 0 0 7 42 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 55 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 10 25 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 63 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 43 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 44 1 0 0 0 0 14 45 1 0 0 0 0 15 19 1 0 0 0 0 15 23 1 1 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 22 1 0 0 0 0 18 51 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 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 62 1 0 0 0 0 25 30 1 0 0 0 0 25 31 2 0 0 0 0 26 28 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 29 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 28 68 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 29 69 1 0 0 0 0 30 36 2 0 0 0 0 31 37 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 36 38 1 0 0 0 0 36 83 1 0 0 0 0 37 38 2 0 0 0 0 37 84 1 0 0 0 0 38 85 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 39 86 1 0 0 0 0 40 42 1 0 0 0 0 40 87 1 0 0 0 0 M END > 71457605 > 1 > 807 > 8 > 4 > 10 > AAADcfB7uAAEAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABAAAAHgIQCAAADarBkCQyyIPAAgCIACXSWACCAAAhBwAIiIGIZsgIZDrB07HUMAhglgDI2YccgUAMAAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-N-(1-isobutyl-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-(2,6-dimethylheptan-4-yl)-3-piperidinecarboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxidanylidene-piperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-5-keto-2,2-dimethyl-piperazino]-N-(1-isobutyl-3-methyl-butyl)nipecotamide;fumaric acid > InChI=1S/C27H43ClN4O2.C4H4O4/c1-18(2)11-21(12-19(3)4)30-26(34)20-13-22(15-29-14-20)32-16-25(33)31(17-27(32,5)6)24-10-8-7-9-23(24)28;5-3(6)1-2-4(7)8/h7-10,18-22,29H,11-17H2,1-6H3,(H,30,34);1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,22+;/m0./s1 > PRYNSJYVPQFOGQ-LDWSLUENSA-N > 606.3184129 > C31H47ClN4O6 > 607.2 > CC(C)CC(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)CC(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 > 606.3184129 > 0 > 42 > 2 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 15 23 5 25 30 8 25 31 8 30 36 8 31 37 8 36 38 8 37 38 8 12 8 5 $$$$