null CDK 0225161910 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 0.7763 0.7969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -1.6781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -2.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -2.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -1.2656 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 5.4617 3.4876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 2.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 4.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 4.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9111 5.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7291 5.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2313 4.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9156 3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0976 3.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0492 4.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3649 5.4428 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 4.1416 -0.7907 0.0000 C 0 0 0 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 5.7775 -1.0061 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 11 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 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 8 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 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:124403 > N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide > 2 > C31H44N4O6 > 568.705 > 568.32609 > 0 > C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)CC4=CC=C(C=C4)OC)[C@H](C)CO > InChI=1S/C31H44N4O6/c1-22-18-35(23(2)21-36)31(38)27-17-25(32-30(37)11-12-34-13-15-40-16-14-34)7-10-28(27)41-29(22)20-33(3)19-24-5-8-26(39-4)9-6-24/h5-10,17,22-23,29,36H,11-16,18-21H2,1-4H3,(H,32,37)/t22-,23+,29-/m0/s1 > WZMFZVAQVUXYGZ-CTWZREHQSA-N > LSM-35845 $$$$