11527495 -OEChem-04232402202D 94 99 0 1 0 0 0 0 0999 V2000 5.5443 -3.5909 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.9154 3.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3407 -0.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0391 2.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -3.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9299 1.3797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.9202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3263 1.2603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9880 -0.2260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -1.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9736 1.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6427 2.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2826 0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -2.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5790 -1.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6208 2.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2607 0.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5771 1.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9080 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5790 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -2.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9954 2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2681 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5553 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3189 -0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9372 3.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2244 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6790 0.7251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3481 1.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -2.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7008 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -2.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3918 1.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4137 2.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0610 2.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1047 3.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 3.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7738 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7820 2.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8749 3.1136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1169 2.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6686 0.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2609 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0113 -2.8554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4990 -3.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1159 -1.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3268 -1.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2348 2.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6425 2.9504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0285 0.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7865 0.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9707 2.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6757 0.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4338 0.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3268 -3.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1159 -3.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6275 -2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6275 -2.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2277 2.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4696 2.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8864 3.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7207 2.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3230 1.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0811 1.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -1.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1695 4.1840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4115 3.9377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6061 1.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7718 2.7413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 0.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5179 0.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5945 -0.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0869 0.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 0.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -1.3921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9988 1.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6674 2.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4982 3.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1668 4.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5822 4.3758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 38 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 25 2 0 0 0 0 4 29 2 0 0 0 0 5 30 2 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 7 73 1 0 0 0 0 8 22 1 0 0 0 0 8 29 1 0 0 0 0 8 79 1 0 0 0 0 9 25 1 0 0 0 0 28 9 1 6 0 0 0 9 80 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 11 47 1 0 0 0 0 12 16 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 50 1 0 0 0 0 13 51 1 0 0 0 0 14 20 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 21 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 60 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 21 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 23 26 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 24 27 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 28 78 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 34 83 1 0 0 0 0 35 39 1 0 0 0 0 35 84 1 0 0 0 0 36 40 2 0 0 0 0 36 85 1 0 0 0 0 37 38 2 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 2 0 0 0 0 39 86 1 0 0 0 0 40 43 1 0 0 0 0 40 87 1 0 0 0 0 41 45 2 0 0 0 0 41 88 1 0 0 0 0 42 44 2 0 0 0 0 42 89 1 0 0 0 0 43 90 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 45 91 1 0 0 0 0 46 92 1 0 0 0 0 46 93 1 0 0 0 0 46 94 1 0 0 0 0 M END > 11527495 > 1 > 1020 > 6 > 3 > 11 > AAADcfB/uABAAAAAAAAAAAAAAAAAAaIAAAA8aIEAAAAAAEgB9AAAHgQQAAAADajh2AYyAcPABAiMAiFSEACDAIAkCBBIiJmIBMgIYDKglTGWIQhklgCoiYe4iMCOQAAAgAAEAACAAAEAAAgAAAAAAAAAAA== > N-[1-[[(1R)-1-benzyl-2-oxo-2-[[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]methylamino]ethyl]carbamoyl]cyclopentyl]-6-methyl-benzothiophene-2-carboxamide > 6-methyl-N-[1-[[[(2R)-1-[[1-(4-oxanylmethyl)-4-piperidinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]cyclopentyl]-1-benzothiophene-2-carboxamide > 6-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide > 6-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide > 6-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide > N-[1-[[(1R)-1-benzyl-2-keto-2-[[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]methylamino]ethyl]carbamoyl]cyclopentyl]-6-methyl-benzothiophene-2-carboxamide > InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1 > YQYSVMKCMIUCHY-WJOKGBTCSA-N > 6 > 644.33962720 > C37H48N4O4S > 644.9 > CC1=CC2=C(C=C1)C=C(S2)C(=O)NC3(CCCC3)C(=O)NC(CC4=CC=CC=C4)C(=O)NCC5CCN(CC5)CC6CCOCC6 > CC1=CC2=C(C=C1)C=C(S2)C(=O)NC3(CCCC3)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)NCC5CCN(CC5)CC6CCOCC6 > 128 > 644.33962720 > 0 > 46 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 32 8 1 38 8 32 34 8 33 35 8 33 36 8 34 37 8 35 39 8 36 40 8 37 38 8 37 41 8 38 42 8 39 43 8 40 43 8 41 45 8 42 44 8 44 45 8 28 9 6 $$$$