null CDK 0225161907 null 36 38 0 0 0 0 0 0 0 0999 V2000 -3.4286 -3.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -2.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 -3.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -2.6728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 -3.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 -3.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 -2.6728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 -1.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 -3.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5727 -2.6728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4650 -1.8549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9672 -1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 -1.0927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4397 -1.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -1.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5474 -2.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 -3.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2272 -3.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3609 -3.8296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1788 -3.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 -3.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3653 -2.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 -3.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3169 -3.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1349 -3.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4506 -4.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2685 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5842 -5.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0820 -5.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -5.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 -5.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9987 -0.2958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7956 -0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6681 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 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 7 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 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 2 0 0 0 0 17 18 1 0 0 0 0 18 10 1 0 0 0 0 17 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 16 1 0 0 0 0 21 23 1 0 0 0 0 23 24 3 0 0 0 0 24 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 13 32 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 11 36 1 1 0 0 0 M END > CHEBI:119645 > 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea > 2 > C28H36N4O4 > 492.611 > 492.27366 > 0 > CCCNC(=O)N(C)C[C@@H]1[C@H](CN(C(=O)C2=C(O1)N=CC(=C2)C#CCC3=CC=CC=C3)[C@H](C)CO)C > InChI=1S/C28H36N4O4/c1-5-14-29-28(35)31(4)18-25-20(2)17-32(21(3)19-33)27(34)24-15-23(16-30-26(24)36-25)13-9-12-22-10-7-6-8-11-22/h6-8,10-11,15-16,20-21,25,33H,5,12,14,17-19H2,1-4H3,(H,29,35)/t20-,21+,25+/m0/s1 > FGDWBZCHFJENJN-BPYKYCOYSA-N > LSM-31091 $$$$