null CDK 0225161918 null 29 31 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 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 -1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0987 -1.0180 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 6.4774 2.7966 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 1 0 0 0 0 19 17 1 0 0 0 0 9 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 4 26 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > CHEBI:130197 > N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide > 2 > C22H33N3O4 > 403.516 > 403.24711 > 0 > C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@@H]1CN(C)C)[C@H](C)CO > InChI=1S/C22H33N3O4/c1-14-11-25(15(2)13-26)21(27)10-17-9-18(23-22(28)16-5-6-16)7-8-19(17)29-20(14)12-24(3)4/h7-9,14-16,20,26H,5-6,10-13H2,1-4H3,(H,23,28)/t14-,15-,20-/m1/s1 > DQZQMUYWPNMKBM-STXHMFSFSA-N > LSM-41746 $$$$