L-alpha-Aspartyl-D-Phenylalanine Methyl Ester
[CAS# 22839-65-2]

Identification

• Name: L-alpha-Aspartyl-D-Phenylalanine Methyl Ester
• Synonyms: (3S)-3-Amino-4-[[(1R)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-Methyl-4-Oxo-Butanoic Acid; (3S)-3-Amino-4-[[(1R)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-Methyl-4-Oxobutanoic Acid; (3S)-3-Amino-4-[[(1R)-1-(Benzyl)-2-Hydroxy-2-Keto-Ethyl]Amino]-4-Keto-3-Methyl-Butyric Acid
• Molecular Formula: C₁₄H₁₈N₂O₅
• Molecular Weight: 294.31
• CAS Registry Number: 22839-65-2
• SMILES: [C@@H](C(=O)O)(NC([C@@](N)(CC(=O)O)C)=O)CC1=CC=CC=C1
• InChI: 1S/C14H18N2O5/c1-14(15,8-11(17)18)13(21)16-10(12(19)20)7-9-5-3-2-4-6-9/h2-6,10H,7-8,15H2,1H3,(H,16,21)(H,17,18)(H,19,20)/t10-,14+/m1/s1
• InChIKey: VKTBXOXHQHEYGX-YGRLFVJLSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 594.361°C at 760 mmHg (Cal.)
• Flash point: 313.258°C (Cal.)