null CDK 0225161910 null 33 35 0 0 0 0 0 0 0 0999 V2000 6.2734 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6414 1.8197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9236 1.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6414 0.2692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9269 -0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0702 -0.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1552 1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1552 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4408 0.2195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4408 -0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1552 -1.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 -1.0180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 -1.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3937 -2.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1388 -3.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 -3.1126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0589 -2.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7258 -2.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1784 -2.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 2.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9269 2.2322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0702 3.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8454 3.3269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9887 4.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2734 -0.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1301 -1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0486 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6806 -0.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 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 1 0 0 0 0 21 22 2 0 0 0 0 22 18 1 0 0 0 0 22 23 1 0 0 0 0 19 24 1 0 0 0 0 9 25 1 0 0 0 0 25 26 1 0 0 0 0 26 2 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 4 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:123696 > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea > 2 > C23H33N5O5 > 459.540 > 459.24817 > 0 > C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)O[C@@H]1CNC)[C@H](C)CO > InChI=1S/C23H33N5O5/c1-13-11-28(14(2)12-29)21(30)9-17-8-18(6-7-19(17)32-20(13)10-24-5)25-23(31)26-22-15(3)27-33-16(22)4/h6-8,13-14,20,24,29H,9-12H2,1-5H3,(H2,25,26,31)/t13-,14-,20-/m1/s1 > GJSCVGWEXUPFQW-ARGWCVDVSA-N > LSM-35138 $$$$