null CDK 0224162332 null 32 34 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 2 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 0.7763 3.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 4.5094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 4.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0226 4.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 5.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1169 5.9139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6901 5.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 6.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 3.7794 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 2 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 4.4573 4.7967 0.0000 C 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 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 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 17 1 0 0 0 0 21 22 1 0 0 0 0 18 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 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 4 29 1 0 0 0 0 29 30 1 1 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:108833 > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea > 2 > C22H31N5O5 > 445.513 > 445.23252 > 0 > C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=C(ON=C3C)C)O[C@@H]1CNC)[C@@H](C)CO > InChI=1S/C22H31N5O5/c1-12-10-27(13(2)11-28)21(29)16-7-6-8-17(20(16)31-18(12)9-23-5)24-22(30)25-19-14(3)26-32-15(19)4/h6-8,12-13,18,23,28H,9-11H2,1-5H3,(H2,24,25,30)/t12-,13+,18-/m1/s1 > MPDMLCBONFVZSW-FHSNZYRGSA-N > LSM-20232 $$$$