3-Methoxy-O-Methyl-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Tyrosine
[CAS# 218457-71-7]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Alanine derivatives
• Name: 3-Methoxy-O-Methyl-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Tyrosine
• Synonyms: (2S)-2-[(tert-Butoxycarbonyl)amino]-3-(3,4-dimethoxyphenyl)propionic acid; 3-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid; 3-(3,4-dimethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid
• Molecular Formula: C₁₆H₂₃NO₆
• Molecular Weight: 325.36
• CAS Registry Number: 218457-71-7
• SMILES: COc1cc(ccc1OC)CC(NC(=O)OC(C)(C)C)C(O)=O
• InChI: 1S/C16H23NO6/c1-16(2,3)23-15(20)17-11(14(18)19)8-10-6-7-12(21-4)13(9-10)22-5/h6-7,9,11H,8H2,1-5H3,(H,17,20)(H,18,19)
• InChIKey: ADWMFTMMXMHMHB-UHFFFAOYSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 482.706°C at 760 mmHg (Cal.)
• Flash point: 245.732°C (Cal.)
• Refractive index: 1.518 (Cal.)