null CDK 0225161910 null 42 46 0 0 0 0 0 0 0 0999 V2000 5.4863 -1.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 -0.4101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5306 -0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0003 0.3651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0003 1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 1.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5306 1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0575 1.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 2.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0575 3.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 2.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0575 4.0279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 4.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6286 4.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 5.2654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6286 5.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9141 5.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 5.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 6.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9141 6.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6286 6.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 6.7578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 6.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 5.4229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3397 0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0575 0.0024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6895 -0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5462 -1.3404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 -1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1782 -1.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0350 -2.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6669 -3.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5237 -4.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7484 -4.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1164 -3.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2597 -2.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 0.0830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5930 0.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0818 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 -1.0117 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 20 1 0 0 0 0 9 27 1 0 0 0 0 27 28 1 0 0 0 0 28 2 1 0 0 0 0 28 29 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 4 39 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 M END > CHEBI:123884 > 1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea > 2 > C32H44N4O6 > 580.716 > 580.32609 > 0 > C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@H]1CN(C)CC5CCCCC5)[C@H](C)CO > InChI=1S/C32H44N4O6/c1-21-16-36(22(2)19-37)31(38)14-24-13-25(33-32(39)34-26-10-12-28-29(15-26)41-20-40-28)9-11-27(24)42-30(21)18-35(3)17-23-7-5-4-6-8-23/h9-13,15,21-23,30,37H,4-8,14,16-20H2,1-3H3,(H2,33,34,39)/t21-,22-,30+/m1/s1 > RFZFPTSDEPYSRK-WOGZVKCMSA-N > LSM-35326 $$$$