(2S)-2-Amino-4-[[2-Hydroxy-2-(4-Hydroxyphenyl)Ethyl]Carbamoyl]Butanoic Acid
[CAS# 99633-82-6]

Identification

• Name: (2S)-2-Amino-4-[[2-Hydroxy-2-(4-Hydroxyphenyl)Ethyl]Carbamoyl]Butanoic Acid
• Synonyms: (2S)-2-Amino-5-[[2-Hydroxy-2-(4-Hydroxyphenyl)Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[2-Hydroxy-2-(4-Hydroxyphenyl)Ethyl]Amino]-5-Keto-Valeric Acid; L-Glutamine, N-(2-Hydroxy-2-(4-Hydroxyphenyl)Ethyl)-
• Molecular Formula: C₁₃H₁₈N₂O₅
• Molecular Weight: 282.30
• CAS Registry Number: 99633-82-6
• SMILES: [C@H](CCC(NCC(C1=CC=C(C=C1)O)O)=O)(C(O)=O)N
• InChI: 1S/C13H18N2O5/c14-10(13(19)20)5-6-12(18)15-7-11(17)8-1-3-9(16)4-2-8/h1-4,10-11,16-17H,5-7,14H2,(H,15,18)(H,19,20)/t10-,11?/m0/s1
• InChIKey: WWCXEMMJJSPSJX-VUWPPUDQSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 655.95°C at 760 mmHg (Cal.)
• Flash point: 350.506°C (Cal.)