N-Acetyl-L-Tyrosyl-L-Valyl-L-Alanyl-N-[2-Oxo-4-(Trifluoromethyl)-2H-Chromen-7-Yl]-L-alpha-Asparagine
[CAS# 219137-85-6]

Identification

• Name: N-Acetyl-L-Tyrosyl-L-Valyl-L-Alanyl-N-[2-Oxo-4-(Trifluoromethyl)-2H-Chromen-7-Yl]-L-alpha-Asparagine
• Synonyms: Ac-YVAD-AFC; N-Acetyl-Tyr-Val-Ala-Asp-(7-amino-4-trifluoromethylcoumarin)
• Molecular Formula: C₃₃H₃₆F₃N₅O₁₀
• Molecular Weight: 719.66
• CAS Registry Number: 219137-85-6
• SMILES: Oc1ccc(cc1)C[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)Nc2ccc\3c(c2)OC(=O)/C=C/3C(F)(F)F
• InChI: 1S/C33H36F3N5O10/c1-15(2)28(41-31(49)23(38-17(4)42)11-18-5-8-20(43)9-6-18)32(50)37-16(3)29(47)40-24(14-26(44)45)30(48)39-19-7-10-21-22(33(34,35)36)13-27(46)51-25(21)12-19/h5-10,12-13,15-16,23-24,28,43H,11,14H2,1-4H3,(H,37,50)(H,38,42)(H,39,48)(H,40,47)(H,41,49)(H,44,45)/t16-,23-,24-,28-/m0/s1
• InChIKey: GWKJISJKNKIJNP-DEQDFGQZSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 1084.638°C at 760 mmHg (Cal.)
• Flash point: 609.767°C (Cal.)
• Refractive index: 1.585 (Cal.)
• solubility: Soluble to 14.39 mg/ml in DMSO