16195670 -OEChem-05042415402D 99103 0 1 0 0 0 0 0999 V2000 8.9282 7.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 8.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -7.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -6.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -8.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -8.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 41 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 46 1 0 0 0 0 5 50 1 0 0 0 0 6 49 1 0 0 0 0 6 51 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 9 15 1 0 0 0 0 9 26 1 0 0 0 0 9 66 1 0 0 0 0 10 23 1 0 0 0 0 10 30 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 1 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 1 0 0 0 12 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 16 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 21 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 18 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 23 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 27 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 24 28 1 0 0 0 0 24 71 1 0 0 0 0 25 29 2 0 0 0 0 25 72 1 0 0 0 0 26 31 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 27 34 2 0 0 0 0 27 35 1 0 0 0 0 28 32 2 0 0 0 0 28 75 1 0 0 0 0 29 32 1 0 0 0 0 29 76 1 0 0 0 0 30 36 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 37 2 0 0 0 0 31 38 1 0 0 0 0 32 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 39 1 0 0 0 0 34 83 1 0 0 0 0 35 40 2 0 0 0 0 35 84 1 0 0 0 0 36 44 2 0 0 0 0 36 45 1 0 0 0 0 37 42 1 0 0 0 0 37 85 1 0 0 0 0 38 43 2 0 0 0 0 38 86 1 0 0 0 0 39 41 2 0 0 0 0 40 41 1 0 0 0 0 40 87 1 0 0 0 0 42 46 2 0 0 0 0 42 88 1 0 0 0 0 43 46 1 0 0 0 0 43 89 1 0 0 0 0 44 47 1 0 0 0 0 44 90 1 0 0 0 0 45 48 2 0 0 0 0 45 91 1 0 0 0 0 47 49 2 0 0 0 0 47 92 1 0 0 0 0 48 49 1 0 0 0 0 48 93 1 0 0 0 0 50 94 1 0 0 0 0 50 95 1 0 0 0 0 50 96 1 0 0 0 0 51 97 1 0 0 0 0 51 98 1 0 0 0 0 51 99 1 0 0 0 0 M END > 16195670 > 1 > 1030 > 6 > 1 > 18 > AAADcfB/uAAGAAAAAAAAAAAAAAAAAAAAAAA8YMGCAAAAAAABVAAAHgIQAAAADC7BmCYyBoPABACIAiFSEACCCAAgJQAIisCODogMZiKFszuUMChk1hGIqAeQ0IIOJAAAIAAAAARIAABAAAAACAAAAAAAAA== > (5S)-4-[2-(3,4-dichlorophenyl)ethyl]-1-[(1R)-1-[[(4-methoxyphenyl)methylamino]methyl]-5-[(4-methoxyphenyl)methyl-methyl-amino]pentyl]-5-phenyl-piperazine-2,3-dione > (5S)-4-[2-(3,4-dichlorophenyl)ethyl]-1-[(2R)-1-[(4-methoxyphenyl)methylamino]-6-[(4-methoxyphenyl)methyl-methylamino]hexan-2-yl]-5-phenylpiperazine-2,3-dione > (5S)-4-[2-(3,4-dichlorophenyl)ethyl]-1-[(2R)-1-[(4-methoxyphenyl)methylamino]-6-[(4-methoxyphenyl)methyl-methylamino]hexan-2-yl]-5-phenylpiperazine-2,3-dione > (5S)-4-[2-(3,4-dichlorophenyl)ethyl]-1-[(2R)-1-[(4-methoxyphenyl)methylamino]-6-[(4-methoxyphenyl)methyl-methylamino]hexan-2-yl]-5-phenylpiperazine-2,3-dione > (5S)-4-[2-(3,4-dichlorophenyl)ethyl]-1-[(2R)-1-[(4-methoxyphenyl)methylamino]-6-[(4-methoxyphenyl)methyl-methyl-amino]hexan-2-yl]-5-phenyl-piperazine-2,3-dione > (5S)-4-[2-(3,4-dichlorophenyl)ethyl]-1-[(1R)-5-[methyl(p-anisyl)amino]-1-[(p-anisylamino)methyl]pentyl]-5-phenyl-piperazine-2,3-quinone > InChI=1S/C41H48Cl2N4O4/c1-45(28-32-14-19-36(51-3)20-15-32)23-8-7-11-34(27-44-26-31-12-17-35(50-2)18-13-31)47-29-39(33-9-5-4-6-10-33)46(40(48)41(47)49)24-22-30-16-21-37(42)38(43)25-30/h4-6,9-10,12-21,25,34,39,44H,7-8,11,22-24,26-29H2,1-3H3/t34-,39-/m1/s1 > KDTMQIOUBMOSIC-FXBDCZLJSA-N > 7.8 > 730.3052614 > C41H48Cl2N4O4 > 731.7 > CN(CCCCC(CNCC1=CC=C(C=C1)OC)N2CC(N(C(=O)C2=O)CCC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4)CC5=CC=C(C=C5)OC > CN(CCCC[C@H](CNCC1=CC=C(C=C1)OC)N2C[C@@H](N(C(=O)C2=O)CCC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4)CC5=CC=C(C=C5)OC > 74.4 > 730.3052614 > 0 > 51 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 5 12 19 5 19 24 8 19 25 8 24 28 8 25 29 8 27 34 8 27 35 8 28 32 8 29 32 8 31 37 8 31 38 8 34 39 8 35 40 8 36 44 8 36 45 8 37 42 8 38 43 8 39 41 8 40 41 8 42 46 8 43 46 8 44 47 8 45 48 8 47 49 8 48 49 8 $$$$