alpha-Aspartylvaline
[CAS# 874504-15-1]

Identification

• Name: alpha-Aspartylvaline
• Synonyms: 3-amino-4-((1-carboxy-2-methylpropyl)amino)-4-oxobutanoic acid; DV; aspartylvaline; MS/MS-1087843
• Molecular Formula: C₉H₁₆N₂O₅
• Molecular Weight: 232.23
• CAS Registry Number: 874504-15-1
• SMILES: O=C(NC(C(=O)O)C(C)C)C(N)CC(=O)O
• InChI: 1S/C9H16N2O5/c1-4(2)7(9(15)16)11-8(14)5(10)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
• InChIKey: CPMKYMGGYUFOHS-UHFFFAOYSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 526.442°C at 760 mmHg (Cal.)
• Flash point: 272.183°C (Cal.)
• Refractive index: 1.521 (Cal.)