null CDK 0224162332 null 30 31 0 0 0 0 0 0 0 0999 V2000 0.5686 -2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 -1.4353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4629 -1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -0.6731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5719 0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6151 0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 1.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 1.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0164 2.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5186 1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 1.0862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2509 0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 -0.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 -0.9331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7241 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 -0.9331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -2.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8675 -0.9331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -0.8866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9755 -1.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3453 -0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1422 -0.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 6 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 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 4 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > CHEBI:108817 > 1-[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea > 2 > C22H36N4O4 > 420.546 > 420.27366 > 0 > C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO > InChI=1S/C22H36N4O4/c1-14(2)23-22(29)25(7)12-19-15(3)11-26(16(4)13-27)21(28)17-9-8-10-18(24(5)6)20(17)30-19/h8-10,14-16,19,27H,11-13H2,1-7H3,(H,23,29)/t15-,16-,19-/m1/s1 > XZXNUYDCQDAXAA-GPMSIDNRSA-N > LSM-20216 $$$$