Benzyloxycarbonylphenylalanyl-alanine chloromethyl ketone

Base Information

• Chemical Name: Benzyloxycarbonylphenylalanyl-alanine chloromethyl ketone
• CAS No.: 60525-17-9
• Molecular Formula: C21H23 Cl N2 O4
• Molecular Weight: 402.87
• DSSTox Substance ID: DTXSID30975934
• Mol file: 60525-17-9.mol

Synonyms:benzyloxycarbonylphenylalanyl-alanine chloromethyl ketone;Boc-Phe-Ala-CMK;ZPACK

Chemical Property of Benzyloxycarbonylphenylalanyl-alanine chloromethyl ketone

Chemical Property:

• Vapor Pressure: 1.95E-16mmHg at 25°C
• Boiling Point: 643.2°C at 760 mmHg
• PKA: 11.07±0.46(Predicted)
• Flash Point: 342.8°C
• Density: 1.235g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 402.1346349
• Heavy Atom Count: 28
• Complexity: 517

Purity/Quality:

BENZYLOXYCARBONYLPHENYLALANYL-ALANINE CHLOROMETHYL KETONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)CCl)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
• Isomeric SMILES: C[C@@H](C(=O)CCl)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2