70876250 -OEChem-05072409292D 72 76 0 1 0 0 0 0 0999 V2000 4.7097 -1.2953 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6473 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1518 1.8523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1113 1.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4876 0.3690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7097 0.9516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0236 0.3556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3996 0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5960 -0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0716 0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6197 0.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7556 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8877 0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 2.6068 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9322 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4217 3.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4915 0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2436 2.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 0.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4915 -0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1556 0.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3855 0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 4.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7348 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5105 2.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 3.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3855 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7348 -1.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3009 -0.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1113 -1.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -2.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -2.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8531 -3.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8308 -3.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 -4.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2073 -4.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8998 1.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0875 1.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9760 -0.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5336 -1.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5746 -0.3238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4847 0.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3856 -1.4196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1423 -1.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0164 1.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2193 1.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3589 -0.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1560 -0.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2844 1.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4873 1.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7916 2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5035 1.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 2.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 3.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7581 4.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0260 -0.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 1.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3783 1.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8266 4.8663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9181 2.8094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8273 -1.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3783 -1.8265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6809 -0.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -1.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -2.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -3.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4439 -3.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8319 -4.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4338 -5.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 30 1 0 0 0 0 2 27 1 0 0 0 0 3 22 2 0 0 0 0 4 25 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 25 1 0 0 0 0 7 14 1 0 0 0 0 7 22 1 0 0 0 0 7 58 1 0 0 0 0 8 10 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 24 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 19 26 2 0 0 0 0 19 59 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 23 60 1 0 0 0 0 24 27 2 0 0 0 0 24 61 1 0 0 0 0 25 31 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 28 29 2 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 68 1 0 0 0 0 35 37 2 0 0 0 0 35 69 1 0 0 0 0 36 38 2 0 0 0 0 36 70 1 0 0 0 0 37 38 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 M END > 70876250 > 1 > 922 > 5 > 1 > 9 > AAADcfB7MQBAAAAAAAAAAAAAAAAAAWAAAAAwYIAABAAAAAABQAAAHwQQAAAADQjB2AQwwYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIIDLg1ZGEIQhglgDoyYcciICOEAAAQAAAAQAgAACAAAACAAAAAAAAAA== > 2-benzyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-benzothiazepine-7-carboxamide > 5-[(4-fluoro-1-cyclohexa-2,4-dienyl)methyl]-4-oxo-2-(phenylmethyl)-N-[3-(1-pyrrolidinyl)propyl]-1,5-benzothiazepine-7-carboxamide > 2-benzyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-benzothiazepine-7-carboxamide > 2-benzyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-oxo-N-(3-pyrrolidin-1-ylpropyl)-1,5-benzothiazepine-7-carboxamide > 5-[(4-fluoranylcyclohexa-2,4-dien-1-yl)methyl]-4-oxidanylidene-2-(phenylmethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,5-benzothiazepine-7-carboxamide > 2-benzyl-5-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-keto-N-(3-pyrrolidinopropyl)-1,5-benzothiazepine-7-carboxamide > InChI=1S/C31H34FN3O2S/c32-26-12-9-24(10-13-26)22-35-28-20-25(31(37)33-15-6-18-34-16-4-5-17-34)11-14-29(28)38-27(21-30(35)36)19-23-7-2-1-3-8-23/h1-3,7-9,11-14,20-21,24H,4-6,10,15-19,22H2,(H,33,37) > MITVBPRXIOGAPF-UHFFFAOYSA-N > 5.3 > 531.23557667 > C31H34FN3O2S > 531.7 > C1CCN(C1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC(=O)N3CC4CC=C(C=C4)F)CC5=CC=CC=C5 > C1CCN(C1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC(=O)N3CC4CC=C(C=C4)F)CC5=CC=CC=C5 > 78 > 531.23557667 > 0 > 38 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 16 3 18 21 8 18 23 8 20 23 8 20 28 8 21 29 8 28 29 8 33 34 8 33 35 8 34 36 8 35 37 8 36 38 8 37 38 8 $$$$