null CDK 0224162332 null 32 34 0 0 0 0 0 0 0 0999 V2000 5.6736 2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 2.0344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9114 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 0.6260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1874 -0.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 3.2719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 3.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8233 4.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0783 5.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9033 5.7789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1582 4.9943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9428 4.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 6.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 2.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 2.6178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6438 3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1416 4.0345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3236 3.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4573 4.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -0.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4617 -0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1416 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4573 -1.5529 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 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 16 1 0 0 0 0 20 21 1 0 0 0 0 18 22 1 0 0 0 0 8 23 1 0 0 0 0 23 24 1 0 0 0 0 24 2 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 4 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:108698 > N-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide > 2 > C23H33N5O4 > 443.540 > 443.25325 > 0 > C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@H]1CN(C)C)[C@H](C)CO > InChI=1S/C23H33N5O4/c1-14-11-28(16(3)13-29)23(31)17-8-7-9-18(21(17)32-20(14)12-26(4)5)24-22(30)19-10-15(2)25-27(19)6/h7-10,14,16,20,29H,11-13H2,1-6H3,(H,24,30)/t14-,16+,20-/m0/s1 > ADWJBSWPWOPVMW-NBQZKYEYSA-N > LSM-20097 $$$$