60187377 -OEChem-04192418592D 61 64 0 1 0 0 0 0 0999 V2000 11.0052 -1.9817 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.0052 -2.9817 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0052 -3.9817 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9960 -0.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6284 2.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 -2.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7905 -0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1284 1.2078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 -1.0473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5052 -2.1156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8651 0.2251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2640 -0.2837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6062 -0.7408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0052 -1.2496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8318 -0.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3852 -1.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 2.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1300 0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1284 2.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5052 -2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7217 3.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 -2.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -1.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3309 4.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4649 4.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5324 -2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3959 -3.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 -2.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 -2.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0052 -2.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -3.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -4.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0851 1.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7559 -0.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3863 -1.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6067 -1.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8268 0.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2175 -0.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5285 0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7315 0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4661 2.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 2.4243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 2.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 4.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1848 3.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8466 -2.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9205 3.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5831 4.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8293 5.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0041 4.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8152 -1.5787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3551 -3.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5330 0.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4226 -3.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1128 -3.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1192 -2.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0365 -5.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8978 -4.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7338 -4.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 18 1 0 0 0 0 4 54 1 0 0 0 0 5 17 2 0 0 0 0 6 20 2 0 0 0 0 7 24 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 24 1 0 0 0 0 10 20 1 0 0 0 0 10 29 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 6 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 1 0 0 0 14 20 1 6 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 23 2 0 0 0 0 17 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 21 25 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 26 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 28 1 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 53 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M END > 60187377 > 1 > 920 > 7 > 2 > 5 > AAADceB7OYAAAAAAAAAAAAAAAAAAAeIAAAAsQAAABYAAAACAAAAAHwAQCAAADSjhgBYCAAPAAgCIAiVSUACAAAAgAgAICIEIAEgIUBoAwQAUQAAGlgCIgYO+GQIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1R,9S,10S,11S)-12-(cyclopentanecarbonyl)-10-(hydroxymethyl)-6-oxo-5-[(Z)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-[cyclopentyl(oxo)methyl]-10-(hydroxymethyl)-6-oxo-5-[(Z)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-(cyclopentanecarbonyl)-10-(hydroxymethyl)-6-oxo-5-[(Z)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-(cyclopentanecarbonyl)-10-(hydroxymethyl)-6-oxo-5-[(Z)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-cyclopentylcarbonyl-10-(hydroxymethyl)-6-oxidanylidene-5-[(Z)-prop-1-enyl]-N-[2,2,2-tris(fluoranyl)ethyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-(cyclopentanecarbonyl)-6-keto-10-methylol-5-[(Z)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > InChI=1S/C23H28F3N3O4/c1-2-5-13-8-9-16-19-18(20(31)27-12-23(24,25)26)15(11-30)17(10-28(16)21(13)32)29(19)22(33)14-6-3-4-7-14/h2,5,8-9,14-15,17-19,30H,3-4,6-7,10-12H2,1H3,(H,27,31)/b5-2-/t15-,17-,18+,19+/m1/s1 > YVHCFSKIGCKIMY-BZZNZQFOSA-N > 1.9 > 467.20319087 > C23H28F3N3O4 > 467.5 > CC=CC1=CC=C2C3C(C(C(N3C(=O)C4CCCC4)CN2C1=O)CO)C(=O)NCC(F)(F)F > C/C=C\C1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C4CCCC4)CN2C1=O)CO)C(=O)NCC(F)(F)F > 90 > 467.20319087 > 0 > 33 > 4 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 11 34 6 12 18 5 13 36 5 14 20 6 16 23 8 23 28 8 24 27 8 27 28 8 9 16 8 9 24 8 $$$$