null CDK 0225161915 null 37 39 0 0 0 0 0 0 0 0999 V2000 0.9219 -2.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0296 -1.4687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3151 -1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1016 -0.2593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5141 0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0119 1.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 0.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0255 0.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7399 0.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7399 1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0255 1.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4544 0.2562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1689 0.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1689 1.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8833 0.2562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5978 0.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3123 0.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5978 1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -0.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8265 -1.2552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3287 -1.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -2.6719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 -2.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 -3.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1995 -4.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7017 -4.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -5.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5681 -5.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0659 -4.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3816 -4.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2524 -6.3752 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8883 -6.1598 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 -0.1516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0321 0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 -0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0365 -0.6985 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 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 17 19 1 0 0 0 0 8 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 28 33 1 0 0 0 0 4 34 1 0 0 0 0 34 35 1 6 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 M END > CHEBI:127898 > 1-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea > 2 > C27H36Cl2N4O4 > 551.506 > 550.21136 > 0 > C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@@H](C)CO > InChI=1S/C27H36Cl2N4O4/c1-16(2)30-27(36)31-23-8-6-7-20-25(23)37-24(17(3)12-33(26(20)35)18(4)15-34)14-32(5)13-19-9-10-21(28)22(29)11-19/h6-11,16-18,24,34H,12-15H2,1-5H3,(H2,30,31,36)/t17-,18+,24-/m1/s1 > FCCAVEYMXYQNMW-NXMSCROESA-N > LSM-39454 $$$$