null CDK 0225161910 null 42 45 0 0 0 0 0 0 0 0999 V2000 6.2734 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6414 1.8197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9236 1.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6414 0.2692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9269 -0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0702 -0.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1552 1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1552 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4408 0.2195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0118 0.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0118 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7027 1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4171 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4171 2.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7027 3.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0118 2.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 2.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9269 2.2322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0702 3.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4382 3.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 3.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5815 4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3567 4.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9495 4.9178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0927 5.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8343 6.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7194 6.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 7.0521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5197 6.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7027 6.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5627 5.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2734 -0.2611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1301 -1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0486 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6806 -0.5092 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 9 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 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 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 1 0 0 0 0 35 36 2 0 0 0 0 36 32 1 0 0 0 0 36 37 1 0 0 0 0 33 38 1 0 0 0 0 4 39 1 0 0 0 0 39 40 1 6 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 M END > CHEBI:124551 > N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide > 2 > C31H39N5O6 > 577.672 > 577.29003 > 0 > C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)[C@@H](C)CO > InChI=1S/C31H39N5O6/c1-19-16-36(20(2)18-37)29(39)15-24-14-25(32-28(38)13-23-9-7-6-8-10-23)11-12-26(24)41-27(19)17-35(5)31(40)33-30-21(3)34-42-22(30)4/h6-12,14,19-20,27,37H,13,15-18H2,1-5H3,(H,32,38)(H,33,40)/t19-,20+,27-/m1/s1 > RPGMWKJTPRPOSY-IOKPGSKQSA-N > LSM-35993 $$$$