2-Amino-3-[3-[5-(2-Amino-3-Hydroxy-3-Oxopropyl)-2-Hydroxyphenyl]-5-[4-(2-Amino-3-Hydroxy-3-Oxopropyl)Phenoxy]-4-Hydroxyphenyl]Propanoic Acid
[CAS# 126723-16-8]

Identification

• Name: 2-Amino-3-[3-[5-(2-Amino-3-Hydroxy-3-Oxopropyl)-2-Hydroxyphenyl]-5-[4-(2-Amino-3-Hydroxy-3-Oxopropyl)Phenoxy]-4-Hydroxyphenyl]Propanoic Acid
• Synonyms: 2-Amino-3-[3-[5-(2-Amino-3-Hydroxy-3-Oxo-Propyl)-2-Hydroxy-Phenyl]-5-[4-(2-Amino-3-Hydroxy-3-Oxo-Propyl)Phenoxy]-4-Hydroxy-Phenyl]Propanoic Acid; 2-Amino-3-[3-[5-(2-Amino-3-Hydroxy-3-Keto-Propyl)-2-Hydroxy-Phenyl]-5-[4-(2-Amino-3-Hydroxy-3-Keto-Propyl)Phenoxy]-4-Hydroxy-Phenyl]Propionic Acid; 5-(4''-(2-Carboxy-2-Aminoethyl)Phenoxy)-3,3'-Dityrosine
• Molecular Formula: C₂₇H₂₉N₃O₉
• Molecular Weight: 539.54
• CAS Registry Number: 126723-16-8
• SMILES: C1=C(C=C(C(=C1C2=CC(=CC=C2O)CC(C(=O)O)N)O)OC3=CC=C(CC(C(=O)O)N)C=C3)CC(C(=O)O)N
• InChI: 1S/C27H29N3O9/c28-19(25(33)34)9-13-1-4-16(5-2-13)39-23-12-15(11-21(30)27(37)38)8-18(24(23)32)17-7-14(3-6-22(17)31)10-20(29)26(35)36/h1-8,12,19-21,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)
• InChIKey: YLKSMWKXSSBSNR-UHFFFAOYSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 778.326°C at 760 mmHg (Cal.)
• Flash point: 424.516°C (Cal.)