71729189 -OEChem-04262418082D 63 67 0 1 0 0 0 0 0999 V2000 6.4655 -3.5402 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6574 -1.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1974 1.7168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6275 -0.4561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0984 1.2829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9994 1.7168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8690 1.1433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0046 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4883 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7991 0.1040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8607 -0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2219 2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3839 0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 1.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7649 1.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5984 3.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 3.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5566 -1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9954 3.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7239 3.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3851 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0586 4.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7871 4.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9544 4.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3142 -3.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0795 -3.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7038 -4.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7064 -4.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7882 2.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3846 0.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4058 0.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7438 -0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3025 -0.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 0.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3562 0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4255 -0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 -0.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7805 2.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6085 3.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7656 0.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 0.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0911 2.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6378 1.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9397 0.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3810 1.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 3.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4604 4.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7364 4.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0398 3.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1851 -0.1849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4399 2.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2402 2.6866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9865 -2.1644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6379 -1.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5423 4.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3426 4.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9936 5.2004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6812 -3.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0318 -5.1078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3073 -4.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 31 1 0 0 0 0 2 18 2 0 0 0 0 3 21 2 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 11 5 1 1 0 0 0 5 21 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 1 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 32 1 6 0 0 0 8 11 1 0 0 0 0 8 16 1 1 0 0 0 8 33 1 0 0 0 0 9 12 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 20 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 54 1 0 0 0 0 23 26 2 0 0 0 0 23 55 1 0 0 0 0 24 28 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 27 2 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 30 31 2 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 M END > 71729189 > 1 > 664 > 3 > 1 > 5 > AAADcfB7MABAAAAAAAAAAAAAAAAAAWJAAAAwYAAABYAAAACxwAAAHgQQAAAADajF2ASwAYPAAAiMAiFSEAADAIAgCBBIiJkIAIgIIDKglRGEIAAglgCoiAcYiMCOgAAAAAAAAAAQAQSAACQAAAAAAAAAAA== > N-[(1R,10S,11R,12S)-11-benzyl-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl]-2-(2-thienyl)acetamide > N-[(1R,10S,11R,12S)-6-oxo-11-(phenylmethyl)-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl]-2-thiophen-2-ylacetamide > N-[(1R,10S,11R,12S)-11-benzyl-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl]-2-thiophen-2-ylacetamide > N-[(1R,10S,11R,12S)-11-benzyl-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl]-2-thiophen-2-ylacetamide > N-[(1R,10S,11R,12S)-6-oxidanylidene-11-(phenylmethyl)-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl]-2-thiophen-2-yl-ethanamide > N-[(1R,10S,11R,12S)-11-benzyl-6-keto-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl]-2-(2-thienyl)acetamide > InChI=1S/C26H32N2O2S/c29-24(18-20-9-5-16-31-20)27-23-12-14-26-13-6-15-28(26)25(30)11-4-10-22(26)21(23)17-19-7-2-1-3-8-19/h1-3,5,7-9,16,21-23H,4,6,10-15,17-18H2,(H,27,29)/t21-,22+,23+,26-/m1/s1 > BMVLHQZTZDGLNA-QTZVNIFKSA-N > 4.2 > 436.21844944 > C26H32N2O2S > 436.6 > C1CC2C(C(CCC23CCCN3C(=O)C1)NC(=O)CC4=CC=CS4)CC5=CC=CC=C5 > C1C[C@H]2[C@H]([C@H](CC[C@]23CCCN3C(=O)C1)NC(=O)CC4=CC=CS4)CC5=CC=CC=C5 > 77.6 > 436.21844944 > 0 > 31 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 28 8 1 31 8 20 22 8 20 23 8 22 25 8 23 26 8 25 27 8 26 27 8 28 29 8 29 30 8 30 31 8 11 5 5 6 9 5 7 32 6 8 16 5 $$$$