null CDK 0224162206 null 28 29 0 0 0 0 0 0 0 0999 V2000 -3.4286 -3.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -2.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 -3.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -2.6728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 -3.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 -3.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 -2.6728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 -1.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 -3.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5727 -2.6728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4650 -1.8549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9672 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 -1.0927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4397 -1.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -1.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5474 -2.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3653 -2.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 -3.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1788 -3.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3609 -3.8296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 -3.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2272 -3.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 -3.3904 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.9987 -0.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7956 -0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6681 -1.6414 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 21 22 1 0 0 0 0 22 10 1 0 0 0 0 18 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 11 28 1 1 0 0 0 M END > CHEBI:97021 > 1-[[(2R,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea > 2 > C19H29BrN4O4 > 457.362 > 456.13722 > 0 > CCCNC(=O)N(C)C[C@H]1[C@H](CN(C(=O)C2=CC(=CN=C2O1)Br)[C@@H](C)CO)C > InChI=1S/C19H29BrN4O4/c1-5-6-21-19(27)23(4)10-16-12(2)9-24(13(3)11-25)18(26)15-7-14(20)8-22-17(15)28-16/h7-8,12-13,16,25H,5-6,9-11H2,1-4H3,(H,21,27)/t12-,13-,16-/m0/s1 > LKDAMHONCJEZRZ-XEZPLFJOSA-N > LSM-8400 $$$$