54698642 -OEChem-05112418362D 53 56 0 1 0 0 0 0 0999 V2000 2.0000 -0.1407 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 -2.0452 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 2.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9258 2.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 2.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9189 -1.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3034 0.2908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3307 0.7054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2760 0.7054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5979 -0.2852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2779 -2.1922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9883 -0.4940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0088 -0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6124 1.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3034 0.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9943 1.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6278 1.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8034 1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6683 -1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3081 0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6184 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9789 1.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9800 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9384 -1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 0.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5979 -3.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 -0.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 -1.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2827 -1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3802 -0.6147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0273 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6226 -0.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0809 -1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4699 -2.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2557 -1.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8326 1.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0736 1.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5209 -0.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -0.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4392 0.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5331 1.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7741 1.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3403 3.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 -2.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 0.9786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -0.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0105 -3.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7963 -3.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1853 -2.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4493 -2.1067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 32 1 0 0 0 0 3 18 1 0 0 0 0 3 46 1 0 0 0 0 4 17 2 0 0 0 0 5 22 2 0 0 0 0 6 25 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 24 1 0 0 0 0 10 21 2 0 0 0 0 11 25 1 0 0 0 0 11 29 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 6 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 25 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 27 48 1 0 0 0 0 28 31 2 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 M END > 54698642 > 1 > 828 > 6 > 2 > 4 > AAADceB7uQAEAAAAAAAAAAAAAAAAAWAAAAA8QIAAAAAAAFgBwAAAHwIYCAAADC7BniwyhpPMEgCoAyVyVASSgCAnZSAa2KGtTtgKZn7T17OUcchmrhjY2UecnwLeAAAAIAAAAAAAAABAAAAAAAAAAAAAAA== > (13S)-5-[(3-chloro-4-fluoro-phenyl)methyl]-11-ethyl-8-hydroxy-N,13-dimethyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide > (13S)-5-[(3-chloro-4-fluorophenyl)methyl]-11-ethyl-8-hydroxy-N,13-dimethyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide > (13S)-5-[(3-chloro-4-fluorophenyl)methyl]-11-ethyl-8-hydroxy-N,13-dimethyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide > (13S)-5-[(3-chloro-4-fluorophenyl)methyl]-11-ethyl-8-hydroxy-N,13-dimethyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide > (13S)-5-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-11-ethyl-N,13-dimethyl-8-oxidanyl-6,10-bis(oxidanylidene)-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide > (13S)-5-(3-chloro-4-fluoro-benzyl)-11-ethyl-8-hydroxy-6,10-diketo-N,13-dimethyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-carboxamide > InChI=1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)21(26)32)20(31)27(25-15(16)19(30)24-3)9-11-5-6-13(23)12(22)7-11/h5-7,10,29H,4,8-9H2,1-3H3,(H,24,30)/t10-/m0/s1 > JSRREMIKIHJGAA-JTQLQIEISA-N > 2.3 > 461.1266100 > C21H21ClFN5O4 > 461.9 > CCN1CC(N2C3=C(C(=C2C1=O)O)C(=O)N(N=C3C(=O)NC)CC4=CC(=C(C=C4)F)Cl)C > CCN1C[C@@H](N2C3=C(C(=C2C1=O)O)C(=O)N(N=C3C(=O)NC)CC4=CC(=C(C=C4)F)Cl)C > 107 > 461.1266100 > 0 > 32 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 21 8 12 19 6 14 18 8 15 16 8 15 21 8 16 18 8 16 22 8 26 27 8 26 28 8 27 30 8 28 31 8 30 32 8 31 32 8 7 14 8 7 15 8 9 10 8 9 22 8 $$$$