null CDK 0225161918 null 37 40 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 0.3138 -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 6.4774 2.7966 0.0000 C 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 6.7640 4.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9072 5.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6825 5.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3144 4.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1712 4.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3959 3.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0897 5.2680 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 6.3286 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2734 -0.2611 0.0000 C 0 0 1 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 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 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 28 33 1 0 0 0 0 4 34 1 0 0 0 0 34 35 1 6 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 M END > CHEBI:130295 > N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide > 2 > C28H35Cl2N3O4 > 548.502 > 547.20046 > 0 > C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO > InChI=1S/C28H35Cl2N3O4/c1-17-13-33(18(2)16-34)27(35)12-21-11-22(31-28(36)20-5-6-20)7-9-25(21)37-26(17)15-32(3)14-19-4-8-23(29)24(30)10-19/h4,7-11,17-18,20,26,34H,5-6,12-16H2,1-3H3,(H,31,36)/t17-,18-,26+/m0/s1 > HSZCUBFTTZDVGX-QSAFDGGLSA-N > LSM-41844 $$$$