4078684 -OEChem-09272320502D 34 34 0 1 0 0 0 0 0999 V2000 2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 17 1 0 0 0 0 2 33 1 0 0 0 0 3 18 1 0 0 0 0 3 34 1 0 0 0 0 4 17 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 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 11 17 1 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 18 2 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 M END > 4078684 > 1 > 301 > 5 > 4 > 5 > AAADceBzOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCzBmAQyDoLAAgCIAiHSGAACAAAgIAAIiIGOCIgKZjKCkTOUcAAk1hGYmAeYyKCOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid > 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]propanoic acid > 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid > 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid > 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid > 2-(tyrosylamino)propionic acid > InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18) > NLKUJNGEGZDXGO-UHFFFAOYSA-N > -3.1 > 252.11100700 > C12H16N2O4 > 252.27 > CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N > CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N > 113 > 252.11100700 > 0 > 18 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 3 12 15 8 13 16 8 15 18 8 16 18 8 7 6 3 9 12 8 9 13 8 $$$$