71462971 -OEChem-05132412592D 72 75 0 1 0 0 0 0 0999 V2000 8.9282 4.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2932 1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 0.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 0.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 18 2 0 0 0 0 3 19 2 0 0 0 0 8 4 1 1 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 54 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 7 19 1 0 0 0 0 21 7 1 1 0 0 0 7 55 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 36 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 19 1 1 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 18 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 56 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 29 1 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 30 33 1 0 0 0 0 30 65 1 0 0 0 0 31 34 2 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 35 2 0 0 0 0 33 70 1 0 0 0 0 34 35 1 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 M END > 71462971 > 1 > 726 > 4 > 2 > 7 > AAADcfB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAABQAAAHgIQAAAADarBmCQywIPAAACIAiVSUACCAAAhBwAIiIGIZogIYDrB07HUIAhglgDIyAccgYAOAAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-N-[(1R)-1-phenylbutyl]piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-N-[(1R)-1-phenylbutyl]-3-piperidinecarboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-1-phenylbutyl]piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-1-phenylbutyl]piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxidanylidene-piperazin-1-yl]-N-[(1R)-1-phenylbutyl]piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-5-keto-2,2-dimethyl-piperazino]-N-[(1R)-1-phenylbutyl]nipecotamide > InChI=1S/C28H37ClN4O2/c1-4-10-24(20-11-6-5-7-12-20)31-27(35)21-15-22(17-30-16-21)33-18-26(34)32(19-28(33,2)3)25-14-9-8-13-23(25)29/h5-9,11-14,21-22,24,30H,4,10,15-19H2,1-3H3,(H,31,35)/t21-,22+,24+/m0/s1 > QTCUEFWORJZGFQ-WMTXJRDZSA-N > 4.2 > 496.2605041 > C28H37ClN4O2 > 497.1 > CCCC(C1=CC=CC=C1)NC(=O)C2CC(CNC2)N3CC(=O)N(CC3(C)C)C4=CC=CC=C4Cl > CCC[C@H](C1=CC=CC=C1)NC(=O)[C@H]2C[C@H](CNC2)N3CC(=O)N(CC3(C)C)C4=CC=CC=C4Cl > 64.7 > 496.2605041 > 0 > 35 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 19 5 20 22 8 20 23 8 22 27 8 23 28 8 25 30 8 25 31 8 27 29 8 28 29 8 30 33 8 31 34 8 33 35 8 34 35 8 8 4 5 21 7 5 $$$$