null CDK 0224162332 null 42 45 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 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 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2330 6.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7217 4.7377 0.0000 O 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 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 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 33 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 4 39 1 0 0 0 0 39 40 1 6 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 M END > CHEBI:108818 > 4-[[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[(1-oxo-2-phenylethyl)amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzoic acid > 2 > C33H39N3O6 > 573.681 > 573.28389 > 0 > C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@@H](C)CO > InChI=1S/C33H39N3O6/c1-22-18-36(23(2)21-37)32(39)17-27-16-28(34-31(38)15-24-7-5-4-6-8-24)13-14-29(27)42-30(22)20-35(3)19-25-9-11-26(12-10-25)33(40)41/h4-14,16,22-23,30,37H,15,17-21H2,1-3H3,(H,34,38)(H,40,41)/t22-,23-,30-/m0/s1 > VWLXYKZHRWDJAR-ZRLASMASSA-N > LSM-20217 $$$$