null CDK 0224162332 null 40 43 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 1 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 1.4408 -0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1552 -1.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 -1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 -1.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0118 -2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7027 -1.8430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7027 -1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0118 -0.6055 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 1 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 3.4608 6.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 7.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3793 7.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0113 6.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 6.0124 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 1 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 2 0 0 0 0 18 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 17 1 0 0 0 0 9 23 1 0 0 0 0 23 24 1 0 0 0 0 24 2 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 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 31 1 0 0 0 0 4 37 1 0 0 0 0 37 38 1 6 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > CHEBI:108735 > N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide > 2 > C30H41N5O5 > 551.678 > 551.31077 > 0 > C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO > InChI=1S/C30H41N5O5/c1-20-17-35(21(2)19-36)28(37)16-23-15-25(32-29(38)22-11-13-31-14-12-22)9-10-26(23)40-27(20)18-34(3)30(39)33-24-7-5-4-6-8-24/h9-15,20-21,24,27,36H,4-8,16-19H2,1-3H3,(H,32,38)(H,33,39)/t20-,21-,27-/m0/s1 > OBYISRQTVLJVSP-IZVMNLJQSA-N > LSM-20134 $$$$