(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid
[CAS# 1050-28-8]

Identification

• Name: (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propionic Acid; Tyrosyltyrosine
• Molecular Formula: C₁₈H₂₀N₂O₅
• Molecular Weight: 344.37
• CAS Registry Number: 1050-28-8
• SMILES: [C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)(CC2=CC=C(O)C=C2)C(=O)O
• InChI: 1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)/t15-,16-/m0/s1
• InChIKey: JAQGKXUEKGKTKX-HOTGVXAUSA-N

Properties

• Density: 1.373g/cm³ (Cal.)
• Boiling point: 703.054°C at 760 mmHg (Cal.)
• Flash point: 378.994°C (Cal.)