20885153 -OEChem-05122401042D 65 68 0 1 0 0 0 0 0999 V2000 11.6434 -0.6652 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5872 1.6376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5773 2.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 -0.0960 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0703 -0.0155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1434 1.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7357 -0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 -1.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 -2.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 0.8798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3802 -0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2526 1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9427 1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1159 0.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0338 2.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7604 0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5294 1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9922 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5199 0.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7424 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9899 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5444 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7669 0.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1434 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2969 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7574 1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2946 -0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5264 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2819 -0.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0206 0.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -0.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2432 -2.2712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 -1.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6656 -0.6301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 -1.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8882 -2.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -2.8027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5994 -2.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 -2.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 0.6948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0952 -0.9450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 -0.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 1.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1731 0.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3626 1.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 1.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5227 2.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4008 0.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6231 0.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 2.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8982 2.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 2.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2059 -0.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3985 1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5393 -1.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1348 -1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 2.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1520 -1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8884 1.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7475 -1.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1182 0.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 26 1 0 0 0 0 2 19 2 0 0 0 0 3 28 2 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 17 1 0 0 0 0 5 19 1 0 0 0 0 5 57 1 0 0 0 0 6 23 1 0 0 0 0 6 28 1 0 0 0 0 6 61 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 44 1 0 0 0 0 14 17 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 58 1 0 0 0 0 22 25 2 0 0 0 0 22 59 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 29 2 0 0 0 0 27 28 1 0 0 0 0 27 30 2 0 0 0 0 29 31 1 0 0 0 0 29 62 1 0 0 0 0 30 32 1 0 0 0 0 30 63 1 0 0 0 0 31 32 2 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 M END > 20885153 > 1 > 639 > 4 > 2 > 7 > AAADcfB7MABAAAAAAAAAAAAAAAAAAAAAAAAwYMAABYAAAAABQAAAHgQQAAAADCjB2AQywYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIYDLglZGUIQhglgDoyYcciACOEAAAQAAEAQAgAACAAAgCAAAAAAAAAA== > N-[2-[cyclohexyl(sec-butyl)amino]ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[2-[butan-2-yl(cyclohexyl)amino]ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[2-[butan-2-yl(cyclohexyl)amino]ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[2-[butan-2-yl(cyclohexyl)amino]ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[2-[butan-2-yl(cyclohexyl)amino]ethyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[2-[cyclohexyl(sec-butyl)amino]ethyl]-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C26H33N3O2S/c1-3-18(2)29(20-9-5-4-6-10-20)16-15-27-25(30)19-13-14-24-22(17-19)28-26(31)21-11-7-8-12-23(21)32-24/h7-8,11-14,17-18,20H,3-6,9-10,15-16H2,1-2H3,(H,27,30)(H,28,31) > QYJVOLSFWOOVIO-UHFFFAOYSA-N > 5.4 > 451.22934848 > C26H33N3O2S > 451.6 > CCC(C)N(CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2)C4CCCCC4 > CCC(C)N(CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2)C4CCCCC4 > 86.7 > 451.22934848 > 0 > 32 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 16 3 20 21 8 20 22 8 21 23 8 22 25 8 23 24 8 24 25 8 26 27 8 26 29 8 27 30 8 29 31 8 30 32 8 31 32 8 $$$$