null CDK 0224162204 null 37 39 0 0 0 0 0 0 0 0999 V2000 7.2065 5.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0166 4.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2867 4.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7466 3.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0968 4.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3668 3.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1770 3.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4470 2.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5272 3.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0673 4.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8774 4.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4175 4.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2276 4.4921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4977 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3078 3.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8479 4.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6580 4.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9281 3.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3880 2.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5779 2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7382 3.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0083 2.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8184 2.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3585 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0884 1.3738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8986 1.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4387 1.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2488 1.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5188 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9788 0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2488 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7087 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8986 -0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6285 -0.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1686 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4470 4.4921 0.0000 O 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 2 0 0 0 0 5 3 1 4 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 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 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 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 16 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 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 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 36 27 1 0 0 0 0 9 37 1 0 0 0 0 M END > CHEBI:95078 > 4-[hydroxy-[4-[[4-[[(1-naphthalenylamino)-oxomethoxy]methyl]phenyl]methylamino]butyl]amino]-4-oxo-2-butenoic acid methyl ester > 2 > C28H31N3O6 > 505.563 > 505.22129 > 0 > COC(=O)C=CC(=O)N(CCCCNCC1=CC=C(C=C1)COC(=O)NC2=CC=CC3=CC=CC=C32)O > InChI=1S/C28H31N3O6/c1-36-27(33)16-15-26(32)31(35)18-5-4-17-29-19-21-11-13-22(14-12-21)20-37-28(34)30-25-10-6-8-23-7-2-3-9-24(23)25/h2-3,6-16,29,35H,4-5,17-20H2,1H3,(H,30,34) > MUJOCHRZXRZONW-UHFFFAOYSA-N > LSM-6330 $$$$