45280966 -OEChem-05102407122D 107112 0 1 0 0 0 0 0999 V2000 8.1906 2.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1906 4.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3495 -1.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7314 -3.6437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6906 -0.2043 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6906 1.5278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 3.2598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9967 -2.2768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3787 -4.1789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2839 -1.1178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1906 0.6618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1906 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0270 -1.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6852 -0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8931 -1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3058 -1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 2.3938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6906 1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 -0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 -0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 3.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 5.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1906 2.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6659 -3.0199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1906 2.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 3.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 3.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 5.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3569 -3.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0186 -2.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6440 -2.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 -1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6906 1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7096 -3.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3132 -3.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2913 -3.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0041 -4.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6906 -0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 -0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9604 -4.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6733 -5.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6514 -5.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8937 -0.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5706 0.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7733 0.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0830 1.2723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5663 -2.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3915 -2.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3018 -0.2440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6852 0.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1453 -1.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4827 -1.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2841 -0.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6918 -1.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8806 2.9308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 1.3157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7983 0.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5830 -0.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2732 -0.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5205 3.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7732 4.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 4.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0706 -0.2043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 2.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 3.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 5.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 5.6468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8575 -2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2983 3.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 2.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 2.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 2.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 5.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 5.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 3.7638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 3.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 5.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 4.4879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3785 -4.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -4.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1698 -2.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4118 -2.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 -0.7603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8806 -1.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7276 -1.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7276 0.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8806 1.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 0.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 -4.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8106 0.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 2.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4829 -2.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3977 -4.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0006 -0.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5706 0.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 -0.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5669 -3.9615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4817 -5.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0663 -5.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 2 28 2 0 0 0 0 3 34 2 0 0 0 0 4 39 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 25 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 7 28 1 0 0 0 0 8 16 1 0 0 0 0 8 26 1 0 0 0 0 8 34 1 0 0 0 0 9 33 1 0 0 0 0 9 39 1 0 0 0 0 9 97 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 6 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 6 0 0 0 11 52 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 15 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 6 0 0 0 17 63 1 0 0 0 0 18 64 1 0 0 0 0 18 65 1 0 0 0 0 19 22 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 68 1 0 0 0 0 21 69 1 0 0 0 0 21 70 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 71 1 0 0 0 0 23 29 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 30 1 0 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 25 28 1 0 0 0 0 26 33 1 0 0 0 0 26 35 1 1 0 0 0 26 76 1 0 0 0 0 27 38 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 29 31 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 30 32 1 0 0 0 0 30 81 1 0 0 0 0 30 82 1 0 0 0 0 31 32 1 0 0 0 0 31 83 1 0 0 0 0 31 84 1 0 0 0 0 32 85 1 0 0 0 0 32 86 1 0 0 0 0 33 87 1 0 0 0 0 33 88 1 0 0 0 0 34 39 1 0 0 0 0 35 40 1 0 0 0 0 35 89 1 0 0 0 0 35 90 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 36 93 1 0 0 0 0 37 94 1 0 0 0 0 37 95 1 0 0 0 0 37 96 1 0 0 0 0 38 41 2 0 0 0 0 38 42 1 0 0 0 0 40 43 2 0 0 0 0 40 44 1 0 0 0 0 41 45 1 0 0 0 0 41 98 1 0 0 0 0 42 46 2 0 0 0 0 42 99 1 0 0 0 0 43 48 1 0 0 0 0 43100 1 0 0 0 0 44 49 2 0 0 0 0 44101 1 0 0 0 0 45 47 2 0 0 0 0 45102 1 0 0 0 0 46 47 1 0 0 0 0 46103 1 0 0 0 0 47104 1 0 0 0 0 48 50 2 0 0 0 0 48105 1 0 0 0 0 49 50 1 0 0 0 0 49106 1 0 0 0 0 50107 1 0 0 0 0 M END > 45280966 > 1 > 1140 > 5 > 1 > 13 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEABgAAAAABQAAAHgAQAAAADSjBmAQyAIPAAACIAiFSEAACAAAgAAAIiICIAIgIYCKAkTGUIAAglgCIiAcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (5S)-5-benzyl-1-[(1S)-1-[[(2R)-2-[[(6S)-6-benzyl-2,3-dioxo-piperazin-1-yl]methyl]pyrrolidin-1-yl]methyl]-3-methyl-butyl]-4-(cycloheptylmethyl)piperazine-2,3-dione > (5S)-4-(cycloheptylmethyl)-1-[(2S)-1-[(2R)-2-[[(6S)-2,3-dioxo-6-(phenylmethyl)-1-piperazinyl]methyl]-1-pyrrolidinyl]-4-methylpentan-2-yl]-5-(phenylmethyl)piperazine-2,3-dione > (5S)-5-benzyl-1-[(2S)-1-[(2R)-2-[[(6S)-6-benzyl-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-4-methylpentan-2-yl]-4-(cycloheptylmethyl)piperazine-2,3-dione > (5S)-5-benzyl-1-[(2S)-1-[(2R)-2-[[(6S)-6-benzyl-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-4-methylpentan-2-yl]-4-(cycloheptylmethyl)piperazine-2,3-dione > (5S)-1-[(2S)-1-[(2R)-2-[[(6S)-2,3-bis(oxidanylidene)-6-(phenylmethyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-4-methyl-pentan-2-yl]-4-(cycloheptylmethyl)-5-(phenylmethyl)piperazine-2,3-dione > (5S)-5-benzyl-1-[(1S)-1-[[(2R)-2-[[(6S)-6-benzyl-2,3-diketo-piperazino]methyl]pyrrolidino]methyl]-3-methyl-butyl]-4-(cycloheptylmethyl)piperazine-2,3-quinone > InChI=1S/C41H57N5O4/c1-30(2)22-36(27-43-21-13-20-34(43)28-45-35(25-42-38(47)39(45)48)23-31-14-9-5-10-15-31)46-29-37(24-32-16-11-6-12-17-32)44(40(49)41(46)50)26-33-18-7-3-4-8-19-33/h5-6,9-12,14-17,30,33-37H,3-4,7-8,13,18-29H2,1-2H3,(H,42,47)/t34-,35+,36+,37+/m1/s1 > BZHLJASDENBEQM-HQPLKVBUSA-N > 7.7 > 683.44105532 > C41H57N5O4 > 683.9 > CC(C)CC(CN1CCCC1CN2C(CNC(=O)C2=O)CC3=CC=CC=C3)N4CC(N(C(=O)C4=O)CC5CCCCCC5)CC6=CC=CC=C6 > CC(C)C[C@@H](CN1CCC[C@@H]1CN2[C@H](CNC(=O)C2=O)CC3=CC=CC=C3)N4C[C@@H](N(C(=O)C4=O)CC5CCCCCC5)CC6=CC=CC=C6 > 93.3 > 683.44105532 > 0 > 50 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 16 6 11 19 6 17 27 6 26 35 5 38 41 8 38 42 8 40 43 8 40 44 8 41 45 8 42 46 8 43 48 8 44 49 8 45 47 8 46 47 8 48 50 8 49 50 8 $$$$