Ac-WEHD-AFC
[CAS# 210344-99-3]

Identification

• Name: Ac-WEHD-AFC
• Synonyms: Caspase 1 (ICE) Substrate 3f; fluorogenic, Ac-WEHD-AFC; N-Acetyl-L-tryptophyl-L-alpha-glutamyl-L-histidyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-L-alpha-asparagine; N-Acetyl-Trp-Glu-His-Asp-7-amido-4-trifluoromethylcoumarin trifluoroacetate salt
• Molecular Formula: C₃₈H₃₇F₃N₈O₁₁
• Molecular Weight: 838.70
• CAS Registry Number: 210344-99-3
• SMILES: CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CN=CN3)C(=O)NC(CC(=O)O)C(=O)NC4=CC5=C(C=C4)C(=CC(=O)O5)C(F)(F)F
• InChI: 1S/C38H37F3N8O11/c1-18(50)45-27(10-19-15-43-25-5-3-2-4-22(19)25)36(58)47-26(8-9-31(51)52)34(56)48-28(11-21-16-42-17-44-21)37(59)49-29(14-32(53)54)35(57)46-20-6-7-23-24(38(39,40)41)13-33(55)60-30(23)12-20/h2-7,12-13,15-17,26-29,43H,8-11,14H2,1H3,(H,42,44)(H,45,50)(H,46,57)(H,47,58)(H,48,56)(H,49,59)(H,51,52)(H,53,54)/t26-,27-,28-,29-/m0/s1
• InChIKey: NEGOLAGPKZGIKJ-DZUOILHNSA-N

Properties

• Density: 1.528±0.06g/cm³ (Cal.)
• Boiling point: 1351.5±65.0°C (Cal.)