Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone

Base Information

• Chemical Name: Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone
• CAS No.: 110407-54-0
• Molecular Formula: C25H33 F3 N4 O6
• Molecular Weight: 542.55
• DSSTox Substance ID: DTXSID30911670
• Mol file: 110407-54-0.mol

Synonyms:benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone;CAAPV;Cbz-Ala-Ala-Pro-ambo-Val-CF3

Chemical Property of Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone

Chemical Property:

• Vapor Pressure: 4.01E-19mmHg at 25°C
• Boiling Point: 694.3°Cat760mmHg
• Flash Point: 373.7°C
• PSA: 133.91000
• Density: 1.268g/cm³
• LogP: 3.17980
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 542.23521927
• Heavy Atom Count: 38
• Complexity: 876

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C(=O)C(F)(F)F)N1CCCC1C(=O)NC(=O)C(C)NC(=O)C(C)NC(=O)OCC2=CC=CC=C2
• Isomeric SMILES: C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(C(C)C)C(=O)C(F)(F)F)NC(=O)[C@H](C)NC(=O)OCC2=CC=CC=C2

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