null CDK 0225161913 null 33 37 0 0 0 0 0 0 0 0999 V2000 4.8503 0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5648 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5648 -0.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8503 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 0.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4214 0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 -0.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9924 0.9760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5635 0.9760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2615 0.9760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2615 1.8010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5635 1.8010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 3.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9924 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 2.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6314 3.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6314 -0.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2147 -0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0116 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2251 0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 0.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3814 -2.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9648 -2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7617 -2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9752 -1.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3919 -1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7513 -3.5346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 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 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 12 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 10 1 0 0 0 0 14 19 1 1 0 0 0 19 20 1 0 0 0 0 13 21 1 1 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 24 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 29 33 1 0 0 0 0 M END > CHEBI:127092 > (6R,7R,8S)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one > 2 > C25H28FN3O4 > 453.507 > 453.20638 > 0 > C1COCCN1CC(=O)N2C[C@H]3[C@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CC(=CC=C5)F > InChI=1S/C25H28FN3O4/c26-20-3-1-2-19(12-20)17-4-6-18(7-5-17)25-21-13-28(15-24(32)29(21)22(25)16-30)23(31)14-27-8-10-33-11-9-27/h1-7,12,21-22,25,30H,8-11,13-16H2/t21-,22+,25+/m0/s1 > RQPOLBJBOCWUQJ-SGIRGMQISA-N > LSM-38655 $$$$