4-Hydroxybestatin
[CAS# 66413-44-3]

Identification

• Name: 4-Hydroxybestatin
• Synonyms: (2S)-2-[[3-Amino-2-Hydroxy-4-(4-Hydroxyphenyl)Butanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[3-Amino-2-Hydroxy-4-(4-Hydroxyphenyl)-1-Oxobutyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[3-Amino-2-Hydroxy-4-(4-Hydroxyphenyl)Butanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₁₆H₂₄N₂O₅
• Molecular Weight: 324.38
• CAS Registry Number: 66413-44-3
• SMILES: [C@@H](NC(C(C(CC1=CC=C(C=C1)O)N)O)=O)(C(=O)O)CC(C)C
• InChI: 1S/C16H24N2O5/c1-9(2)7-13(16(22)23)18-15(21)14(20)12(17)8-10-3-5-11(19)6-4-10/h3-6,9,12-14,19-20H,7-8,17H2,1-2H3,(H,18,21)(H,22,23)/t12?,13-,14?/m0/s1
• InChIKey: FRMXVEDKXFUWRZ-MOKVOYLWSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 661.776°C at 760 mmHg (Cal.)
• Flash point: 354.029°C (Cal.)