(2E)-4-[(N-Acetyl-L-phenylalanyl)amino]-2-butenoic acid
[CAS# 89711-04-6]

Identification

• Name: (2E)-4-[(N-Acetyl-L-phenylalanyl)amino]-2-butenoic acid
• Synonyms: 2-Butenoic acid, 4-((2-(acetylamino)-1-oxo-3-phenylpropyl)amino)-, (2S-trans)-; Mapheb
• Molecular Formula: C₁₅H₁₈N₂O₄
• Molecular Weight: 290.31
• CAS Registry Number: 89711-04-6
• SMILES: O=C(O)\C=C\CNC(=O)[C@@H](NC(=O)C)Cc1ccccc1
• InChI: 1S/C15H18N2O4/c1-11(18)17-13(10-12-6-3-2-4-7-12)15(21)16-9-5-8-14(19)20/h2-8,13H,9-10H2,1H3,(H,16,21)(H,17,18)(H,19,20)/b8-5+/t13-/m0/s1
• InChIKey: ASUSNOUQHQMQFW-LJLILKBBSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 679.918°C at 760 mmHg (Cal.)
• Flash point: 365.001°C (Cal.)