70679952 -OEChem-04262401082D 94 98 0 1 0 0 0 0 0999 V2000 5.6030 0.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2368 4.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3935 3.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -2.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.4312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6987 2.7174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8471 2.4504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.4699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.1866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1606 1.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0039 2.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 2.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 1.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7482 3.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2201 1.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 3.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -0.3131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2500 1.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 3.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 2.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -0.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4430 3.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -1.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9811 5.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -1.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7254 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3132 5.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6489 4.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -2.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 -2.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8686 0.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6485 0.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 2.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 2.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0883 2.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2326 1.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4802 1.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0402 3.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2603 3.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3730 0.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0474 1.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 1.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0907 3.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4635 4.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2296 2.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 -0.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6433 1.8175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2706 1.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6866 4.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9471 3.9521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 3.3347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3506 2.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0721 0.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3145 0.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -1.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -3.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -2.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2963 -1.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3847 -0.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1394 5.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1868 6.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3113 6.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7747 6.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8992 6.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8518 5.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1875 3.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0630 3.8258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1104 4.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -2.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -2.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3782 -3.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 -1.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9634 -2.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.7759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.1918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 24 1 0 0 0 0 2 27 1 0 0 0 0 3 24 2 0 0 0 0 4 25 2 0 0 0 0 5 10 1 0 0 0 0 19 5 1 1 0 0 0 5 55 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 24 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 7 60 1 0 0 0 0 8 25 1 0 0 0 0 8 28 1 0 0 0 0 8 70 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 9 90 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 15 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 17 20 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 21 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 19 61 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 22 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 26 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 35 1 0 0 0 0 29 73 1 0 0 0 0 30 36 2 0 0 0 0 30 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 37 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 38 2 0 0 0 0 35 86 1 0 0 0 0 36 38 1 0 0 0 0 36 87 1 0 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 38 88 1 0 0 0 0 39 41 1 0 0 0 0 39 42 2 0 0 0 0 40 89 1 0 0 0 0 41 43 2 0 0 0 0 42 44 1 0 0 0 0 42 91 1 0 0 0 0 43 45 1 0 0 0 0 43 92 1 0 0 0 0 44 45 2 0 0 0 0 44 93 1 0 0 0 0 45 94 1 0 0 0 0 M END > 70679952 > 1 > 978 > 5 > 4 > 12 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgB9AAAHgAQAAAADOzBngQ+yPPJlACoAzV3XACCgCAxAiAI2aG4ZJgIYPLA0bGcIAhglgDIyAcciMCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > tert-butyl 4-[[(1S)-1-benzyl-2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]amino]-4-(cyclohexylcarbamoyl)piperidine-1-carboxylate > 4-[(cyclohexylamino)-oxomethyl]-4-[[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-piperidinecarboxylic acid tert-butyl ester > tert-butyl 4-(cyclohexylcarbamoyl)-4-[[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]piperidine-1-carboxylate > tert-butyl 4-(cyclohexylcarbamoyl)-4-[[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]piperidine-1-carboxylate > tert-butyl 4-(cyclohexylcarbamoyl)-4-[[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]piperidine-1-carboxylate > 4-[[(1S)-1-benzyl-2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]amino]-4-(cyclohexylcarbamoyl)piperidine-1-carboxylic acid tert-butyl ester > InChI=1S/C36H49N5O4/c1-35(2,3)45-34(44)41-22-19-36(20-23-41,33(43)39-28-14-8-5-9-15-28)40-31(24-26-12-6-4-7-13-26)32(42)37-21-18-27-25-38-30-17-11-10-16-29(27)30/h4,6-7,10-13,16-17,25,28,31,38,40H,5,8-9,14-15,18-24H2,1-3H3,(H,37,42)(H,39,43)/t31-/m0/s1 > KQINPMZIJJXYNT-HKBQPEDESA-N > 5.6 > 615.37845506 > C36H49N5O4 > 615.8 > CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NC2CCCCC2)NC(CC3=CC=CC=C3)C(=O)NCCC4=CNC5=CC=CC=C54 > CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NC2CCCCC2)N[C@@H](CC3=CC=CC=C3)C(=O)NCCC4=CNC5=CC=CC=C54 > 116 > 615.37845506 > 0 > 45 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 26 29 8 26 30 8 29 35 8 30 36 8 35 38 8 36 38 8 37 39 8 37 40 8 39 41 8 39 42 8 41 43 8 42 44 8 43 45 8 44 45 8 19 5 5 9 40 8 9 41 8 $$$$