null CDK 0225161915 null 33 35 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 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0783 2.9699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9033 4.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 4.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 4.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 4.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 5.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 4.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 5.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 6.1594 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 2 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 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 1 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 2 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 8 25 1 0 0 0 0 25 26 1 0 0 0 0 26 2 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 4 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:128089 > N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide > 2 > C23H31N3O6S > 477.576 > 477.19336 > 0 > C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)O[C@@H]1CNC)[C@@H](C)CO > InChI=1S/C23H31N3O6S/c1-15-13-26(16(2)14-27)23(28)19-6-5-7-20(22(19)32-21(15)12-24-3)25-33(29,30)18-10-8-17(31-4)9-11-18/h5-11,15-16,21,24-25,27H,12-14H2,1-4H3/t15-,16-,21+/m0/s1 > QOQOLXTVYWSIIG-CKJXQJPGSA-N > LSM-39645 $$$$