null CDK 0224162205 null 39 42 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 N 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 0.7763 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -2.9156 0.0000 C 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 -0.6526 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -3.7406 0.0000 F 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 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 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 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 4 36 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 M END > CHEBI:95235 > 1-(4-fluorophenyl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea > 2 > C30H35FN4O4 > 534.623 > 534.26423 > 0 > C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@H]1CN(C)CC4=CC=CC=C4)[C@H](C)CO > InChI=1S/C30H35FN4O4/c1-20-16-35(21(2)19-36)29(37)26-15-25(33-30(38)32-24-11-9-23(31)10-12-24)13-14-27(26)39-28(20)18-34(3)17-22-7-5-4-6-8-22/h4-15,20-21,28,36H,16-19H2,1-3H3,(H2,32,33,38)/t20-,21+,28-/m0/s1 > NHGRAHAVFNGAOG-GTNJKRJXSA-N > LSM-6545 $$$$