null CDK 0224162332 null 41 44 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 2.9197 3.6844 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 3.9551 5.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 5.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6349 5.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9506 6.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7685 6.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2708 6.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4484 7.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 7.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7641 8.1769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2619 8.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4439 8.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 9.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2574 10.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0753 10.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 9.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3955 9.7013 0.0000 N 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 13 15 1 0 0 0 0 8 16 1 0 0 0 0 16 17 1 0 0 0 0 17 2 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 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 36 37 1 0 0 0 0 4 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 M END > CHEBI:108814 > N-(2-aminophenyl)-4-[[[(2R,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide > 2 > C32H41N5O4 > 559.700 > 559.31585 > 0 > C[C@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@H]1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)[C@@H](C)CO > InChI=1S/C32H41N5O4/c1-21-17-37(22(2)20-38)32(40)25-9-8-12-28(35(3)4)30(25)41-29(21)19-36(5)18-23-13-15-24(16-14-23)31(39)34-27-11-7-6-10-26(27)33/h6-16,21-22,29,38H,17-20,33H2,1-5H3,(H,34,39)/t21-,22-,29-/m0/s1 > SREUWAAPQJIJAQ-SYZUXVNWSA-N > LSM-20213 $$$$