71531363 -OEChem-05062415032D 79 80 0 1 0 0 0 0 0999 V2000 11.6221 11.0369 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 6.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6221 10.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 3.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 8.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4881 6.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 10.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4881 3.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 6.5369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7560 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6221 5.0369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6221 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4881 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5240 7.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6221 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 11.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4881 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3541 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3541 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 12.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 12.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 13.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2202 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4881 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 7.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1455 5.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5440 4.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1590 4.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0206 7.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2235 7.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8120 10.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4134 9.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7002 4.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0987 5.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9681 7.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3666 8.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0250 6.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 9.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 8.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 7.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 7.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 7.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0609 7.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0250 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8775 2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2760 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 11.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9647 1.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5662 2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3541 0.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 12.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 12.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 13.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9102 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7571 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5302 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1781 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9512 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7981 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.6985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.9585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 18 2 0 0 0 0 3 24 2 0 0 0 0 4 25 2 0 0 0 0 5 39 1 0 0 0 0 5 78 1 0 0 0 0 6 40 1 0 0 0 0 6 79 1 0 0 0 0 7 39 2 0 0 0 0 8 40 2 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 10 53 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 12 27 1 0 0 0 0 12 60 1 0 0 0 0 13 19 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 1 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 20 1 0 0 0 0 16 25 1 1 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 30 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 32 2 0 0 0 0 29 33 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 31 66 1 0 0 0 0 32 34 1 0 0 0 0 32 67 1 0 0 0 0 33 34 2 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 37 76 1 0 0 0 0 38 40 1 0 0 0 0 38 77 1 0 0 0 0 M END > 71531363 > 1 > 818 > 8 > 4 > 8 > AAADcfB7uAAEAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABAAAAHgIQCAAADYrBkCQyyIPAAgCIACXSWACCAAAhBwAIiIGIZsgIZDrB07HUMAhglgDI2YcYAwAMAAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazine-1-carbonyl]-N-isopentyl-piperidine-3-carboxamide;fumaric acid > (E)-2-butenedioic acid;(3S,5R)-5-[[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-oxomethyl]-N-(3-methylbutyl)-3-piperidinecarboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazine-1-carbonyl]-N-(3-methylbutyl)piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazine-1-carbonyl]-N-(3-methylbutyl)piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxidanylidene-piperazin-1-yl]carbonyl-N-(3-methylbutyl)piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-5-keto-2,2-dimethyl-piperazine-1-carbonyl]-N-isoamyl-nipecotamide;fumaric acid > InChI=1S/C24H35ClN4O3.C4H4O4/c1-16(2)9-10-27-22(31)17-11-18(13-26-12-17)23(32)29-14-21(30)28(15-24(29,3)4)20-8-6-5-7-19(20)25;5-3(6)1-2-4(7)8/h5-8,16-18,26H,9-15H2,1-4H3,(H,27,31);1-2H,(H,5,6)(H,7,8)/b;2-1+/t17-,18+;/m0./s1 > OVUOQMNTAWGHIB-VYJUCJBKSA-N > 578.2507273 > C28H39ClN4O7 > 579.1 > CC(C)CCNC(=O)C1CC(CNC1)C(=O)N2CC(=O)N(CC2(C)C)C3=CC=CC=C3Cl.C(=CC(=O)O)C(=O)O > CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)C(=O)N2CC(=O)N(CC2(C)C)C3=CC=CC=C3Cl.C(=C/C(=O)O)\C(=O)O > 156 > 578.2507273 > 0 > 40 > 2 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 14 18 5 16 25 5 26 28 8 26 29 8 28 32 8 29 33 8 32 34 8 33 34 8 $$$$