N-((5-Chloro-3,4-Dihydro-3-Methyl-1-Oxo-1H-2-Benzopyran-7-Yl)Carbonyl)-L-Tyrosine
[CAS# 64398-36-3]

Identification

• Name: N-((5-Chloro-3,4-Dihydro-3-Methyl-1-Oxo-1H-2-Benzopyran-7-Yl)Carbonyl)-L-Tyrosine
• Synonyms: (2S)-2-[(5-Chloro-3-Methyl-1-Oxo-Isochroman-7-Carbonyl)Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2S)-2-[[(5-Chloro-3-Methyl-1-Oxo-7-Isochromanyl)-Oxomethyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2S)-2-[(5-Chloro-1-Keto-3-Methyl-Isochroman-7-Carbonyl)Amino]-3-(4-Hydroxyphenyl)Propionic Acid
• Molecular Formula: C₂₀H₁₈ClNO₆
• Molecular Weight: 403.82
• CAS Registry Number: 64398-36-3
• SMILES: [C@H](NC(=O)C1=CC(=C2C(=C1)C(OC(C2)C)=O)Cl)(CC3=CC=C(O)C=C3)C(=O)O
• InChI: 1S/C20H18ClNO6/c1-10-6-14-15(20(27)28-10)8-12(9-16(14)21)18(24)22-17(19(25)26)7-11-2-4-13(23)5-3-11/h2-5,8-10,17,23H,6-7H2,1H3,(H,22,24)(H,25,26)/t10?,17-/m0/s1
• InChIKey: XSOBFIAALVIQIM-LKDXBUKQSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 670.173°C at 760 mmHg (Cal.)
• Flash point: 359.108°C (Cal.)