Methyl L-alpha-Aspartyl-L-Phenylalaninate Monohydrochloride
[CAS# 5910-52-1]

Identification

• Name: Methyl L-alpha-Aspartyl-L-Phenylalaninate Monohydrochloride
• Synonyms: (3S)-3-Amino-4-[[(1S)-1-Benzyl-2-Methoxy-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid Hydrochloride; (3S)-3-Amino-4-[[(1S)-1-Benzyl-2-Methoxy-2-Oxoethyl]Amino]-4-Oxobutanoic Acid Hydrochloride; (3S)-3-Amino-4-[[(1S)-1-Benzyl-2-Keto-2-Methoxy-Ethyl]Amino]-4-Keto-Butyric Acid Hydrochloride
• Molecular Formula: C₁₄H₁₉ClN₂O₅
• Molecular Weight: 330.77
• CAS Registry Number: 5910-52-1
• EINECS: 227-623-2
• SMILES: [C@H](NC(=O)[C@@H](N)CC(O)=O)(CC1=CC=CC=C1)C(OC)=O.[H+].[Cl-]
• InChI: 1S/C14H18N2O5.ClH/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);1H/t10-,11-;/m0./s1
• InChIKey: AAQFSZFQCXLMNT-ACMTZBLWSA-N

Properties

• Boiling point: 535.8°C at 760 mmHg (Cal.)
• Flash point: 277.8°C (Cal.)