(2S)-4-Amino-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]-4-Oxobutanoic Acid
[CAS# 111872-98-1]

Identification

• Name: (2S)-4-Amino-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]-4-Oxobutanoic Acid
• Synonyms: (2S)-4-Amino-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]-4-Oxo-Butanoic Acid; (2S)-4-Amino-2-[[2-(2,4-Dihydroxyphenyl)-1-Oxoethyl]Amino]-4-Oxobutanoic Acid; (2S)-4-Amino-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₁₂H₁₄N₂O₆
• Molecular Weight: 282.25
• CAS Registry Number: 111872-98-1
• SMILES: [C@@H](NC(=O)CC1=CC=C(O)C=C1O)(C(=O)O)CC(=O)N
• InChI: 1S/C12H14N2O6/c13-10(17)5-8(12(19)20)14-11(18)3-6-1-2-7(15)4-9(6)16/h1-2,4,8,15-16H,3,5H2,(H2,13,17)(H,14,18)(H,19,20)/t8-/m0/s1
• InChIKey: XWUFTPIDMLSXES-QMMMGPOBSA-N

Properties

• Density: 1.51g/cm³ (Cal.)
• Boiling point: 779.279°C at 760 mmHg (Cal.)
• Flash point: 425.092°C (Cal.)
• solubility: Soluble to 50 mM in water