null CDK 0225161911 null 32 34 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 1 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 C 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 1.4408 -2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4408 -3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 -3.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0118 -3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0118 -2.2555 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 1 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 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 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 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 9 24 1 0 0 0 0 24 25 1 0 0 0 0 25 2 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 4 29 1 0 0 0 0 29 30 1 1 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:124896 > N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide > 2 > C25H33N3O4 > 439.548 > 439.24711 > 0 > C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CNC)[C@H](C)CO > InChI=1S/C25H33N3O4/c1-17-15-28(18(2)16-29)25(31)13-20-12-21(9-10-22(20)32-23(17)14-26-3)27-24(30)11-19-7-5-4-6-8-19/h4-10,12,17-18,23,26,29H,11,13-16H2,1-3H3,(H,27,30)/t17-,18+,23-/m0/s1 > RIHRPLOFFJCHJI-IXFSTUDKSA-N > LSM-36338 $$$$