null CDK 0225161913 null 32 36 0 0 0 0 0 0 0 0999 V2000 2.4049 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 -0.1510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8655 -0.1510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8655 -0.9760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6905 -0.9760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -2.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 -0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 -0.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 1.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9773 -0.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9773 -0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 -0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2821 -1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 -2.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2821 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0982 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8846 1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0877 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 1.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 2.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 1.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 2.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6347 3.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8378 3.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 2.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4576 3.1929 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 4 18 1 1 0 0 0 18 19 1 0 0 0 0 3 20 1 6 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:126918 > (6S,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one > 2 > C25H22FN3O3 > 431.460 > 431.16452 > 0 > C1[C@@H]2[C@H]([C@@H](N2C(=O)CN1C(=O)C3=CN=CC=C3)CO)C4=CC=C(C=C4)C5=CC=CC=C5F > InChI=1S/C25H22FN3O3/c26-20-6-2-1-5-19(20)16-7-9-17(10-8-16)24-21-13-28(14-23(31)29(21)22(24)15-30)25(32)18-4-3-11-27-12-18/h1-12,21-22,24,30H,13-15H2/t21-,22+,24-/m1/s1 > CSXAVIOBTDLUSY-AOHZBQACSA-N > LSM-38481 $$$$