71461233 -OEChem-04252411142D 87 88 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 9.6730 1.6200 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 4.8671 6.3700 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 4.0010 7.8700 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 11.4050 1.6200 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 13.1371 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 3.1200 0.0000 C 0 0 2 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 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 8.8070 3.1200 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 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 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 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 2.2690 6.8700 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 1.4030 6.3700 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 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 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 14.5400 4.8100 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 10.5390 3.7400 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 11.7341 10.8100 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 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 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 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 2.2690 7.4900 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 0.0000 6.5600 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 1 29 1 0 0 0 0 2 24 2 0 0 0 0 3 25 2 0 0 0 0 4 32 2 0 0 0 0 5 42 1 0 0 0 0 5 86 1 0 0 0 0 6 43 1 0 0 0 0 6 87 1 0 0 0 0 7 42 2 0 0 0 0 8 43 2 0 0 0 0 14 9 1 1 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 18 1 0 0 0 0 10 21 1 0 0 0 0 10 62 1 0 0 0 0 11 19 1 0 0 0 0 11 24 1 0 0 0 0 11 26 1 0 0 0 0 12 25 1 0 0 0 0 27 12 1 1 0 0 0 12 63 1 0 0 0 0 13 32 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 44 1 0 0 0 0 15 19 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 21 1 0 0 0 0 17 25 1 1 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 24 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 26 29 1 0 0 0 0 26 30 2 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 27 64 1 0 0 0 0 28 31 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 33 2 0 0 0 0 30 34 1 0 0 0 0 30 67 1 0 0 0 0 31 36 1 0 0 0 0 31 37 1 0 0 0 0 31 68 1 0 0 0 0 33 35 1 0 0 0 0 33 69 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 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 40 84 1 0 0 0 0 41 43 1 0 0 0 0 41 85 1 0 0 0 0 M END > 71461233 > 1 > 893 > 9 > 4 > 9 > AAADcfB7uAAEAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABAAAAHgIQCAAADarBkCQyyIPAAgCIACXSWACCAAAhBwAIiIGIZsgIZDrB07HUMAhglgDI2YccAQAMAAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-N-[(1R)-1-(dimethylcarbamoyl)-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-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-piperidinecarboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxidanylidene-piperazin-1-yl]-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-5-keto-2,2-dimethyl-piperazino]-N-[(1R)-1-(dimethylcarbamoyl)-3-methyl-butyl]nipecotamide;fumaric acid > InChI=1S/C26H40ClN5O3.C4H4O4/c1-17(2)11-21(25(35)30(5)6)29-24(34)18-12-19(14-28-13-18)32-15-23(33)31(16-26(32,3)4)22-10-8-7-9-20(22)27;5-3(6)1-2-4(7)8/h7-10,17-19,21,28H,11-16H2,1-6H3,(H,29,34);1-2H,(H,5,6)(H,7,8)/b;2-1+/t18-,19+,21+;/m0./s1 > SQEOUOBMRVMVPO-GQTUSKKOSA-N > 621.2929265 > C30H44ClN5O7 > 622.2 > CC(C)CC(C(=O)N(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)C[C@H](C(=O)N(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 > 160 > 621.2929265 > 0 > 43 > 3 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 27 12 5 17 25 5 26 29 8 26 30 8 29 33 8 30 34 8 33 35 8 34 35 8 14 9 5 $$$$