null CDK 0224162333 null 33 35 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 N 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 -0.3321 2.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 2.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4657 3.6959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9635 4.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1456 4.2427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1701 3.4805 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 1 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 -1.9755 -1.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7724 -1.8970 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 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 8 19 1 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 4 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:109951 > 1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea > 2 > C23H32N6O4 > 456.539 > 456.24850 > 0 > C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CN=CN=C3)O[C@@H]1CN(C)C(=O)NC(C)C)[C@@H](C)CO > InChI=1S/C23H32N6O4/c1-14(2)27-23(32)28(5)11-20-15(3)10-29(16(4)12-30)22(31)19-6-17(9-26-21(19)33-20)18-7-24-13-25-8-18/h6-9,13-16,20,30H,10-12H2,1-5H3,(H,27,32)/t15-,16+,20-/m1/s1 > LAMQXQQGALMYJX-GQIGUUNPSA-N > LSM-21378 $$$$