(2S)-2-{[(2S)-2-Ammonio-3-Methylbutanoyl]Amino}-3-(1H-Imidazol-5-Yl)Propanoate
[CAS# 13589-07-6]

Identification

• Name: (2S)-2-{[(2S)-2-Ammonio-3-Methylbutanoyl]Amino}-3-(1H-Imidazol-5-Yl)Propanoate
• Synonyms: H-VAL-HIS-OH; L-Val-L-His
• Molecular Formula: C₁₁H₁₈N₄O₃
• Molecular Weight: 254.29
• CAS Registry Number: 13589-07-6
• SMILES: [O-]C(=O)[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)Cc1cncn1
• InChI: 1S/C11H18N4O3/c1-6(2)9(12)10(16)15-8(11(17)18)3-7-4-13-5-14-7/h4-6,8-9H,3,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9-/m0/s1
• InChIKey: BNQVUHQWZGTIBX-IUCAKERBSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 605.427°C at 760 mmHg (Cal.)
• Flash point: 319.951°C (Cal.)
• Refractive index: 1.566 (Cal.)