L-beta-Aspartyl-L-Phenylalanine Methyl Ester
[CAS# 22839-61-8]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Phenylalanine derivatives
• Name: L-beta-Aspartyl-L-Phenylalanine Methyl Ester
• Synonyms: (2S)-2-Amino-4-[[(1S)-2-Methoxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoic Acid; (2S)-2-Amino-4-[[(1S)-2-Methoxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoic Acid; (2S)-2-Amino-4-[[(1S)-1-(Benzyl)-2-Keto-2-Methoxy-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₁₄H₁₈N₂O₅
• Molecular Weight: 294.31
• CAS Registry Number: 22839-61-8
• EINECS: 245-262-9
• SMILES: [C@@H](NC(=O)C[C@H](N)C(=O)O)(C(OC)=O)CC1=CC=CC=C1
• InChI: 1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-12(17)8-10(15)13(18)19/h2-6,10-11H,7-8,15H2,1H3,(H,16,17)(H,18,19)/t10-,11-/m0/s1
• InChIKey: SHHIPKDJQYIJJF-QWRGUYRKSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 540.161°C at 760 mmHg (Cal.)
• Flash point: 280.48°C (Cal.)