56639537 -OEChem-05181306452D 67 69 0 1 0 0 0 0 0999 V2000 8.2396 5.8134 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1834 8.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1735 8.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4547 12.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7227 12.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0919 5.0908 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6665 6.4630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 8.0040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 6.0842 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9960 6.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 4.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 5.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9634 4.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 6.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9745 3.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8461 3.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4021 7.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 1.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3566 6.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7398 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1256 7.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5883 5.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1161 7.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5860 5.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3386 6.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7396 8.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1405 6.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3630 7.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8931 5.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3536 7.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8908 5.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1226 6.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5887 11.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5576 5.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 6.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4268 6.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6854 4.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4989 4.1405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0959 4.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5752 4.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 5.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 7.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 7.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 3.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 3.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4578 3.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0516 3.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8021 5.8581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2454 2.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 1.5253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3404 1.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9342 2.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 0.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7466 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3597 0.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 8.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 5.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 4.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4706 8.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7481 4.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4845 8.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3436 5.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7143 7.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5887 10.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9916 11.7381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 28 1 0 0 0 0 2 18 2 0 0 0 0 3 27 2 0 0 0 0 4 34 1 0 0 0 0 4 67 1 0 0 0 0 5 34 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 50 1 0 0 0 0 8 24 1 0 0 0 0 8 27 1 0 0 0 0 8 61 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 35 1 0 0 0 0 10 12 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 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 24 1 0 0 0 0 22 58 1 0 0 0 0 23 25 2 0 0 0 0 23 59 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 M END > 56639537 > 1 > 626 > 6 > 3 > 8 > AAADcfB7OABAAAAAAAAAAAAAAAAAAWAAAAAwYAAABYAAAAABQAAAHgQQCAAADCjB2AcyyYPAAgiIAiVS2ACCAAAlChAIiJ0IZMgIcDLglZGUIQhglgDoyYcciACOEAAAQAAEAQAgAACAAAgCAAAAAAAAAA== > formic acid;N-[(1-hexylpyrrolidin-2-yl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > formic acid;N-[(1-hexyl-2-pyrrolidinyl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > formic acid;N-[(1-hexylpyrrolidin-2-yl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[(1-hexylpyrrolidin-2-yl)methyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide;methanoic acid > formic acid;N-[(1-hexylpyrrolidin-2-yl)methyl]-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C25H31N3O2S.CH2O2/c1-2-3-4-7-14-28-15-8-9-19(28)17-26-24(29)18-12-13-23-21(16-18)27-25(30)20-10-5-6-11-22(20)31-23;2-1-3/h5-6,10-13,16,19H,2-4,7-9,14-15,17H2,1H3,(H,26,29)(H,27,30);1H,(H,2,3) > OOTLFCRZUPYARM-UHFFFAOYSA-N > 483.219178 > C26H33N3O4S > 483.62292 > CCCCCCN1CCCC1CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3.C(=O)O > CCCCCCN1CCCC1CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3.C(=O)O > 124 > 483.219178 > 0 > 34 > 0 > 1 > 0 > 0 > 0 > 2 > 4 > 1 5 255 > 20 22 8 20 23 8 22 24 8 23 25 8 24 26 8 25 26 8 28 29 8 28 30 8 29 31 8 30 32 8 31 33 8 32 33 8 9 14 3 $$$$