5056755 CDK 1019211303 22 22 0 0 0 0 0 0 0 0999 V2000 4.5080 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 3.3001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 16 1 0 0 0 0 3 16 2 0 0 0 0 4 19 1 0 0 0 0 5 19 2 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 19 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 M END > CHEBI:181244 > H-gamma-Glu-Tyr-OH > 2 > 2-amino-5-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid > C14H18N2O6 > 310.306 > 310.11649 > 0 > O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)CCC(N)C(O)=O > InChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22) > VVLXCWVSSLFQDS-UHFFFAOYSA-N $$$$