60160132 -OEChem-04192420072D 61 64 0 1 0 0 0 0 0999 V2000 4.8816 2.1488 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7118 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8816 3.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0998 2.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7466 4.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8760 2.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8816 2.1488 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5176 -1.0266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9677 -0.3283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4959 -1.2032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3155 3.0498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7522 3.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5051 1.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1861 4.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 1.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2826 0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4807 0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3127 3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6228 5.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 4.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2676 1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 -1.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4986 0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 -0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0348 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9952 -2.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3132 -3.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7438 4.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2339 -3.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -4.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 -4.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7511 -5.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6973 3.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2488 4.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3084 3.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0637 1.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 1.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4551 5.3356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 5.9525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2735 6.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1105 5.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2296 4.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 4.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 5.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1367 2.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 -0.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -1.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2288 -1.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9069 1.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4426 -2.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7178 -3.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7902 3.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3621 4.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6975 4.7185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8293 -4.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1046 -4.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 -5.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8991 -6.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3532 -5.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 26 1 0 0 0 0 5 19 1 0 0 0 0 5 30 1 0 0 0 0 6 19 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 11 12 1 1 0 0 0 11 19 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 40 1 0 0 0 0 15 18 2 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 23 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 25 2 0 0 0 0 22 47 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 31 1 0 0 0 0 28 52 1 0 0 0 0 29 32 2 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 M END > 60160132 > 1 > 814 > 8 > 0 > 7 > AAADceB7uQBAAAAAAAAAAAAAAAAAAWAAAAAwYAAABYAAAACx0AAAHwQIQAAADSjB3g4yiZIIBAKqAyTyTHDCBBQhkAAY2Dm4VJgKYLLA0TGVIAhkgADYyAeYgIAOQAAAAAAEAACAAAAAAAgAAAAAAAAAAA== > methyl (2S)-2-[9-fluoro-6,6-dioxo-1-(p-tolylmethyl)-4H-triazolo[4,5-d][1,2]benzothiazepin-5-yl]-4-methyl-pentanoate > (2S)-2-[9-fluoro-1-[(4-methylphenyl)methyl]-6,6-dioxo-4H-triazolo[4,5-d][1,2]benzothiazepin-5-yl]-4-methylpentanoic acid methyl ester > methyl (2S)-2-[9-fluoro-1-[(4-methylphenyl)methyl]-6,6-dioxo-4H-triazolo[4,5-d][1,2]benzothiazepin-5-yl]-4-methylpentanoate > methyl (2S)-2-[9-fluoro-1-[(4-methylphenyl)methyl]-6,6-dioxo-4H-triazolo[4,5-d][1,2]benzothiazepin-5-yl]-4-methylpentanoate > methyl (2S)-2-[9-fluoranyl-1-[(4-methylphenyl)methyl]-6,6-bis(oxidanylidene)-4H-[1,2,3]triazolo[4,5-d][1,2]benzothiazepin-5-yl]-4-methyl-pentanoate > (2S)-2-[9-fluoro-6,6-diketo-1-(4-methylbenzyl)-4H-triazolo[4,5-d][1,2]benzothiazepin-5-yl]-4-methyl-valeric acid methyl ester > InChI=1S/C24H27FN4O4S/c1-15(2)11-21(24(30)33-4)29-14-20-23(19-12-18(25)9-10-22(19)34(29,31)32)28(27-26-20)13-17-7-5-16(3)6-8-17/h5-10,12,15,21H,11,13-14H2,1-4H3/t21-/m0/s1 > PSPILEFBLDFWMF-NRFANRHFSA-N > 3.8 > 486.17370469 > C24H27FN4O4S > 486.6 > CC1=CC=C(C=C1)CN2C3=C(CN(S(=O)(=O)C4=C3C=C(C=C4)F)C(CC(C)C)C(=O)OC)N=N2 > CC1=CC=C(C=C1)CN2C3=C(CN(S(=O)(=O)C4=C3C=C(C=C4)F)[C@@H](CC(C)C)C(=O)OC)N=N2 > 103 > 486.17370469 > 0 > 34 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 5 15 18 8 15 22 8 16 17 8 18 23 8 22 25 8 23 26 8 25 26 8 27 28 8 27 29 8 28 31 8 29 32 8 31 33 8 32 33 8 8 10 8 8 17 8 9 10 8 9 16 8 $$$$