null CDK 0225161913 null 31 34 0 0 0 0 0 0 0 0999 V2000 -4.0150 3.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 3.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 2.3388 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 -2.0514 2.7658 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 -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 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 0.8655 -0.1510 0.0000 C 0 0 2 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 2.4049 0.2615 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 3.1194 -0.9760 0.0000 C 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 1.6905 -0.9760 0.0000 N 0 0 0 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 0.2821 -1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 -1.3458 0.0000 O 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 4.5483 -0.1510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 1.0865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 1.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6346 2.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4415 2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 1.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 1.1635 0.0000 C 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 3 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 13 10 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 14 1 0 0 0 0 20 21 1 0 0 0 0 21 13 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 16 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 27 1 0 0 0 0 M END > CHEBI:126395 > (6R,7R,8R)-N-cyclopentyl-8-(hydroxymethyl)-7-[4-(4-methylpent-1-ynyl)phenyl]-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide > 2 > C25H33N3O3 > 423.549 > 423.25219 > 0 > CC(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4CCCC4 > InChI=1S/C25H33N3O3/c1-17(2)6-5-7-18-10-12-19(13-11-18)24-21-14-27(15-23(30)28(21)22(24)16-29)25(31)26-20-8-3-4-9-20/h10-13,17,20-22,24,29H,3-4,6,8-9,14-16H2,1-2H3,(H,26,31)/t21-,22-,24+/m0/s1 > VYSPFUUZGAOWHP-WPFOTENUSA-N > LSM-37960 $$$$