null CDK 0225161918 null 40 43 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 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4408 -1.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 -0.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6158 -0.6055 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 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0082 6.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6402 5.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4969 5.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7217 4.7377 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 2 0 0 0 0 15 18 1 0 0 0 0 9 19 1 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 4 37 1 0 0 0 0 37 38 1 1 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > CHEBI:130232 > N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide > 2 > C31H39N3O5S > 565.726 > 565.26104 > 0 > C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CN(C)CC3=CC=C(C=C3)C4=CC=CC=C4)[C@H](C)CO > InChI=1S/C31H39N3O5S/c1-22-18-34(23(2)21-35)31(36)17-27-16-28(32-40(4,37)38)14-15-29(27)39-30(22)20-33(3)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h5-16,22-23,30,32,35H,17-21H2,1-4H3/t22-,23+,30-/m0/s1 > XYJNBNRQTGEDGH-BURCIIJTSA-N > LSM-41781 $$$$