CDK 1030232200 32 32 0 0 0 0 0 0 0 0999 V2000 13.5753 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4318 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5753 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2897 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5753 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2897 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 16 18 1 0 0 0 0 M END > CHEBI:210047 > N-palmitoyl-alpha,O-dimethyl-L-tyrosine > 2 > (2S)-2-(hexadecanoylamino)-3-(4-methoxyphenyl)-2-methylpropanoic acid > C27H45NO4 > 447.660 > 447.33486 > 0 > O=C(O)[C@@](NC(=O)CCCCCCCCCCCCCCC)(CC1=CC=C(OC)C=C1)C > InChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)28-27(2,26(30)31)22-23-18-20-24(32-3)21-19-23/h18-21H,4-17,22H2,1-3H3,(H,28,29)(H,30,31)/t27-/m0/s1 > PDVOGCLXKASLHC-MHZLTWQESA-N $$$$