4-[[(2S)-2-Acetamido-3-(4-Hydroxyphenyl)Propanoyl]Amino]Benzoic Acid
[CAS# 38219-60-2]

Identification

• Name: 4-[[(2S)-2-Acetamido-3-(4-Hydroxyphenyl)Propanoyl]Amino]Benzoic Acid
• Synonyms: 4-[[(2S)-2-Acetamido-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]Benzoic Acid; (S)-4-((2-(Acetylamino)-3-(4-Hydroxyphenyl)-1-Oxopropyl)Amino)Benzoic Acid; 4-(N-Acetyltyrosyl)Aminobenzoic Acid
• Molecular Formula: C₁₈H₁₈N₂O₅
• Molecular Weight: 342.35
• CAS Registry Number: 38219-60-2
• EINECS: 253-832-3
• SMILES: [C@@H](NC(=O)C)(C(=O)NC1=CC=C(C=C1)C(=O)O)CC2=CC=C(O)C=C2
• InChI: 1S/C18H18N2O5/c1-11(21)19-16(10-12-2-8-15(22)9-3-12)17(23)20-14-6-4-13(5-7-14)18(24)25/h2-9,16,22H,10H2,1H3,(H,19,21)(H,20,23)(H,24,25)/t16-/m0/s1
• InChIKey: KBMLOINBCRNELT-INIZCTEOSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 747.287°C at 760 mmHg (Cal.)
• Flash point: 405.745°C (Cal.)