Threonyl-Aspartyl-Tyrosine
[CAS# 115053-54-8]

Identification

• Name: Threonyl-Aspartyl-Tyrosine
• Synonyms: 3-Amino-4-[2-(2-Amino-3-Hydroxy-Butanoyl)-6-(2-Amino-3-Hydroxy-3-Oxo-Propyl)-3-Hydroxy-Phenyl]-4-Oxo-Butanoic Acid; 3-Amino-4-[2-(2-Amino-3-Hydroxy-1-Oxobutyl)-6-(2-Amino-3-Hydroxy-3-Oxopropyl)-3-Hydroxyphenyl]-4-Oxobutanoic Acid; 3-Amino-4-[2-(2-Amino-3-Hydroxy-Butanoyl)-6-(2-Amino-3-Hydroxy-3-Keto-Propyl)-3-Hydroxy-Phenyl]-4-Keto-Butyric Acid
• Molecular Formula: C₁₇H₂₃N₃O₈
• Molecular Weight: 397.38
• CAS Registry Number: 115053-54-8
• SMILES: C1=CC(=C(C(=O)C(N)CC(=O)O)C(=C1O)C(=O)C(N)C(O)C)CC(N)C(=O)O
• InChI: 1S/C17H23N3O8/c1-6(21)14(20)16(26)13-10(22)3-2-7(4-9(19)17(27)28)12(13)15(25)8(18)5-11(23)24/h2-3,6,8-9,14,21-22H,4-5,18-20H2,1H3,(H,23,24)(H,27,28)
• InChIKey: GGQSZBNRCFTMLZ-UHFFFAOYSA-N

Properties

• Density: 1.496g/cm³ (Cal.)
• Boiling point: 809.495°C at 760 mmHg (Cal.)
• Flash point: 443.367°C (Cal.)