16759786 -OEChem-04262419052D 63 67 0 1 0 0 0 0 0999 V2000 6.8310 -3.2452 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2001 -0.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 -1.8019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6640 1.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 1.9315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9145 -2.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6298 2.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0840 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7824 0.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6767 2.5578 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6460 -0.8452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2179 -0.4495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1767 1.0189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9857 1.6067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1879 0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2696 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3677 1.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9197 -0.4165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6767 2.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9437 1.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0606 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3523 1.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2645 3.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 3.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7334 -1.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7459 1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 2.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9712 3.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 -0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6399 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5143 -1.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2804 -0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4662 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2459 -2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8236 -3.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9991 -1.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6130 2.1803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1118 1.3269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5688 0.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8795 -1.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1675 0.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7661 3.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6289 3.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7629 3.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1901 3.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 3.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5897 -1.1632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -0.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7102 -0.8449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5238 -1.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8364 1.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9636 2.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0960 2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4592 3.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 3.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 2.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8545 -2.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1243 -3.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7492 -2.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5665 -1.8878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2491 -1.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 37 1 0 0 0 0 2 24 1 0 0 0 0 2 33 1 0 0 0 0 3 24 2 0 0 0 0 4 27 1 0 0 0 0 4 34 1 0 0 0 0 5 28 1 0 0 0 0 5 35 1 0 0 0 0 6 26 2 0 0 0 0 7 27 2 0 0 0 0 8 30 1 0 0 0 0 8 38 1 0 0 0 0 9 30 2 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 26 1 0 0 0 0 12 16 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 6 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 20 1 0 0 0 0 14 39 1 6 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 24 1 6 0 0 0 18 42 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 30 1 0 0 0 0 22 28 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 25 29 2 0 0 0 0 25 47 1 0 0 0 0 26 31 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 31 32 2 0 0 0 0 32 36 1 0 0 0 0 32 49 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 36 37 2 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 M END > 16759786 > 1 > 1110 > 11 > 0 > 8 > AAADceB7PABAAAAAAAAAAAAAAAAAAWLEgAAwQAAAAAAAAFgBwAAAHgQAAAAADizF2Aazz4MABAisAifyfACDCIElKhBJiBmubMgOJjrk/buFMShmxhH46ce42fOfgEABAAACAAAAgAIAAAQAAAAAAAAAAA== > trimethyl (1S,9R,15S)-4-methoxy-8-methyl-14-(thiophene-2-carbonyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5,10,12-pentaene-10,11,15-tricarboxylate > (1S,9R,15S)-4-methoxy-8-methyl-14-[oxo(thiophen-2-yl)methyl]-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5,10,12-pentaene-10,11,15-tricarboxylic acid trimethyl ester > trimethyl (1S,9R,15S)-4-methoxy-8-methyl-14-(thiophene-2-carbonyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5,10,12-pentaene-10,11,15-tricarboxylate > trimethyl (1S,9R,15S)-4-methoxy-8-methyl-14-(thiophene-2-carbonyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5,10,12-pentaene-10,11,15-tricarboxylate > trimethyl (1S,9R,15S)-4-methoxy-8-methyl-14-thiophen-2-ylcarbonyl-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5,10,12-pentaene-10,11,15-tricarboxylate > (1S,9R,15S)-4-methoxy-8-methyl-14-(2-thenoyl)-8,12,14-triazatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5,10,12-pentaene-10,11,15-tricarboxylic acid trimethyl ester > InChI=1S/C26H25N3O8S/c1-28-15-9-8-13(34-2)11-14(15)26-12-16(22(31)35-3)29(21(30)17-7-6-10-38-17)25(26)27-19(24(33)37-5)18(20(26)28)23(32)36-4/h6-11,16,20H,12H2,1-5H3/t16-,20-,26-/m0/s1 > HWPKCTOCMXHMTP-DYAGGBNNSA-N > 2.3 > 539.13623594 > C26H25N3O8S > 539.6 > CN1C2C(=C(N=C3C2(CC(N3C(=O)C4=CC=CS4)C(=O)OC)C5=C1C=CC(=C5)OC)C(=O)OC)C(=O)OC > CN1[C@H]2C(=C(N=C3[C@@]2(C[C@H](N3C(=O)C4=CC=CS4)C(=O)OC)C5=C1C=CC(=C5)OC)C(=O)OC)C(=O)OC > 152 > 539.13623594 > 0 > 38 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 31 8 1 37 8 13 15 6 14 39 6 17 19 8 17 22 8 18 24 6 19 25 8 22 28 8 25 29 8 28 29 8 31 32 8 32 36 8 36 37 8 $$$$