L-Lysine, Mono(alpha-Methyl-4-(2-Thienylcarbonyl)Benzeneacetate)
[CAS# 69317-48-2]

Identification

• Name: L-Lysine, Mono(alpha-Methyl-4-(2-Thienylcarbonyl)Benzeneacetate)
• Synonyms: [(5S)-5-Amino-6-Hydroxy-6-Oxo-Hexyl]Ammonium; 2-[4-(Thiophene-2-Carbonyl)Phenyl]Propanoate; [(5S)-5-Amino-6-Hydroxy-6-Oxohexyl]Ammonium; 2-[4-[Oxo-(2-Thienyl)Methyl]Phenyl]Propanoate; [(5S)-5-Amino-6-Hydroxy-6-Keto-Hexyl]Ammonium; 2-[4-(Thiophene-2-Carbonyl)Phenyl]Propionate
• Molecular Formula: C₂₀H₂₆N₂O₅S
• Molecular Weight: 406.50
• CAS Registry Number: 69317-48-2
• SMILES: [C@@H](N)(C(=O)O)CCCC[NH3+].C2=C(C(=O)C1=CC=CS1)C=CC(=C2)C(C([O-])=O)C
• InChI: 1S/C14H12O3S.C6H14N2O2/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12;7-4-2-1-3-5(8)6(9)10/h2-9H,1H3,(H,16,17);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
• InChIKey: NQHVRMVONLLNME-ZSCHJXSPSA-N

Properties

• Boiling point: 442.6°C at 760 mmHg (Cal.)
• Flash point: 221.5°C (Cal.)