L-alpha-Aspartyl-L-Alanine
[CAS# 13433-02-8]

Identification

• Name: L-alpha-Aspartyl-L-Alanine
• Synonyms: (3S)-3-Amino-4-[[(1S)-2-Hydroxy-1-Methyl-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-Amino-4-[[(1S)-2-Hydroxy-1-Methyl-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-Amino-4-[[(1S)-2-Hydroxy-2-Keto-1-Methyl-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₇H₁₂N₂O₅
• Molecular Weight: 204.18
• CAS Registry Number: 13433-02-8
• SMILES: [C@@H](N)(C(=O)N[C@H](C(=O)O)C)CC(=O)O
• InChI: 1S/C7H12N2O5/c1-3(7(13)14)9-6(12)4(8)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1
• InChIKey: DVUFTQLHHHJEMK-IMJSIDKUSA-N

Properties

• Density: 1.421g/cm³ (Cal.)
• Boiling point: 545.298°C at 760 mmHg (Cal.)
• Flash point: 283.586°C (Cal.)