60162343 -OEChem-05092415232D 87 88 0 1 0 0 0 0 0999 V2000 15.7352 10.6200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 3.1200 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 14.0031 7.6200 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.8691 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 9.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 6.6200 0.0000 C 0 0 2 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 13.1371 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 5.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8691 6.1200 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 14.8691 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1371 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6371 7.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 9.1200 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 14.0031 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 3.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4050 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 11.1200 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 10.5390 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 12.1200 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 10.5390 0.6200 0.0000 C 0 0 0 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 14.0031 12.6200 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 7.9409 3.1200 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 13.4662 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9250 6.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5265 6.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4797 6.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0812 6.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9250 9.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5265 9.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0812 7.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4797 8.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6046 4.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4016 4.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1371 8.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5171 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1371 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1002 7.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3271 6.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1740 6.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4061 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6171 1.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0156 2.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 10.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9375 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1405 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4061 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9190 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1590 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9830 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3630 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 13.2400 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 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 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 28 1 0 0 0 0 2 23 2 0 0 0 0 3 24 2 0 0 0 0 4 30 1 0 0 0 0 4 37 1 0 0 0 0 5 41 1 0 0 0 0 5 86 1 0 0 0 0 6 42 1 0 0 0 0 6 87 1 0 0 0 0 7 41 2 0 0 0 0 8 42 2 0 0 0 0 13 9 1 1 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 10 61 1 0 0 0 0 11 18 1 0 0 0 0 11 23 1 0 0 0 0 11 25 1 0 0 0 0 12 24 1 0 0 0 0 26 12 1 6 0 0 0 12 62 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 43 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 1 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 49 1 0 0 0 0 18 50 1 0 0 0 0 19 23 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 26 27 1 0 0 0 0 26 30 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 32 2 0 0 0 0 29 33 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 69 1 0 0 0 0 32 36 1 0 0 0 0 32 70 1 0 0 0 0 33 36 2 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 36 78 1 0 0 0 0 37 38 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 38 83 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 39 84 1 0 0 0 0 40 42 1 0 0 0 0 40 85 1 0 0 0 0 M END > 60162343 > 1 > 808 > 9 > 4 > 11 > AAADcfB7uAAEAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABAAAAHgIQCAAADarhkCYyyIPABgCIACXSWACCAAAhBwAIiIGIZsgKZDrB07HXMAhklgDY2YecAQAMAAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-N-[(1R)-1-(ethoxymethyl)-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-ethoxy-4-methylpentan-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-ethoxy-4-methylpentan-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-ethoxy-4-methylpentan-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-ethoxy-4-methyl-pentan-2-yl]piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-5-keto-2,2-dimethyl-piperazino]-N-[(1R)-1-(ethoxymethyl)-3-methyl-butyl]nipecotamide;fumaric acid > InChI=1S/C26H41ClN4O3.C4H4O4/c1-6-34-16-20(11-18(2)3)29-25(33)19-12-21(14-28-13-19)31-15-24(32)30(17-26(31,4)5)23-10-8-7-9-22(23)27;5-3(6)1-2-4(7)8/h7-10,18-21,28H,6,11-17H2,1-5H3,(H,29,33);1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,20+,21+;/m0./s1 > BPJDDSUWCDNKFU-HEEGMBEQSA-N > 608.2976775 > C30H45ClN4O7 > 609.2 > CCOCC(CC(C)C)NC(=O)C1CC(CNC1)N2CC(=O)N(CC2(C)C)C3=CC=CC=C3Cl.C(=CC(=O)O)C(=O)O > CCOC[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 > 149 > 608.2976775 > 0 > 42 > 3 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 26 12 6 16 24 5 25 28 8 25 29 8 28 32 8 29 33 8 32 36 8 33 36 8 13 9 5 $$$$