60162472 -OEChem-04272400132D 81 83 0 1 0 0 0 0 0999 V2000 14.0031 11.1200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 10.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 5.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 8.1200 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.1371 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 10.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 7.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4050 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 5.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1371 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4050 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9050 7.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 5.1200 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 9.6730 3.6200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1371 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 2.6200 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 11.4050 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 13.1200 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 10.5390 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1930 7.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7945 6.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7477 6.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3491 7.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1930 10.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7945 9.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3491 8.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7477 8.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8725 4.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6696 4.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4050 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7850 8.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4050 8.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3681 8.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5950 7.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4420 7.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 11.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2055 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4084 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 13.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6309 4.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 3.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 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 80 1 0 0 0 0 5 42 1 0 0 0 0 5 81 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 61 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 62 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 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 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 25 63 1 0 0 0 0 26 30 2 0 0 0 0 27 31 1 0 0 0 0 27 64 1 0 0 0 0 28 33 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 32 1 0 0 0 0 30 67 1 0 0 0 0 31 32 2 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 36 1 0 0 0 0 34 73 1 0 0 0 0 35 37 2 0 0 0 0 35 74 1 0 0 0 0 36 38 2 0 0 0 0 36 75 1 0 0 0 0 37 38 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 39 78 1 0 0 0 0 40 42 1 0 0 0 0 40 79 1 0 0 0 0 M END > 60162472 > 1 > 830 > 8 > 4 > 8 > AAADcfB7uAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAABQAAAHgIQCAAADarBmCQyyIPAAgCIAiXSWACCAAAhBwAIiIGIZsgIZDrB07HUMAhglgDI2YccgYAOAAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-N-[(1R)-1-phenylpropyl]piperidine-3-carboxamide;fumaric acid > (E)-2-butenedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-N-[(1R)-1-phenylpropyl]-3-piperidinecarboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-1-phenylpropyl]piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-1-phenylpropyl]piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxidanylidene-piperazin-1-yl]-N-[(1R)-1-phenylpropyl]piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-5-keto-2,2-dimethyl-piperazino]-N-[(1R)-1-phenylpropyl]nipecotamide;fumaric acid > InChI=1S/C27H35ClN4O2.C4H4O4/c1-4-23(19-10-6-5-7-11-19)30-26(34)20-14-21(16-29-15-20)32-17-25(33)31(18-27(32,2)3)24-13-9-8-12-22(24)28;5-3(6)1-2-4(7)8/h5-13,20-21,23,29H,4,14-18H2,1-3H3,(H,30,34);1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21+,23+;/m0./s1 > RLWKZSHNMHIYQL-GIUXUWTDSA-N > 598.2558127 > C31H39ClN4O6 > 599.1 > CCC(C1=CC=CC=C1)NC(=O)C2CC(CNC2)N3CC(=O)N(CC3(C)C)C4=CC=CC=C4Cl.C(=CC(=O)O)C(=O)O > CC[C@H](C1=CC=CC=C1)NC(=O)[C@H]2C[C@H](CNC2)N3CC(=O)N(CC3(C)C)C4=CC=CC=C4Cl.C(=C/C(=O)O)\C(=O)O > 139 > 598.2558127 > 0 > 42 > 3 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 25 11 5 15 23 5 24 26 8 24 27 8 26 30 8 27 31 8 29 34 8 29 35 8 30 32 8 31 32 8 34 36 8 35 37 8 36 38 8 37 38 8 12 8 5 $$$$