N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate
[CAS# 147529-79-1]

Identification

• Name: N-(Phenylalanine)-S-acetylcysteamine trifluoroacetate
• Synonyms: S-[2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]Ethyl] Ethanethioate; 2,2,2-Trifluoroacetic Acid; Ethanethioic Acid S-[2-[[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]Ethyl] Ester; 2,2,2-Trifluoroacetic Acid; Ethanethioic Acid S-[2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]Ethyl] Ester; 2,2,2-Trifluoroacetic Acid
• Molecular Formula: C₁₅H₁₉F₃N₂O₄S
• Molecular Weight: 380.38
• CAS Registry Number: 147529-79-1
• SMILES: [C@@H](N)(C(=O)NCCSC(=O)C)CC1=CC=CC=C1.O=C(O)C(F)(F)F
• InChI: 1S/C13H18N2O2S.C2HF3O2/c1-10(16)18-8-7-15-13(17)12(14)9-11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-6,12H,7-9,14H2,1H3,(H,15,17);(H,6,7)/t12-;/m0./s1
• InChIKey: WZRDWHIAUFUAIZ-YDALLXLXSA-N

Properties

• Boiling point: 483.6°C at 760 mmHg (Cal.)
• Flash point: 246.3°C (Cal.)