Cbz-Val-Ala-D-Asp-CH2F

Base Information

• Chemical Name: Cbz-Val-Ala-D-Asp-CH2F
• CAS No.: 161511-47-3
• Molecular Formula: C21H28 F N3 O7
• Molecular Weight: 453.4613
• DSSTox Substance ID: DTXSID80420585
• Nikkaji Number: J1.149.902C
• Wikidata: Q82231882
• Mol file: 161511-47-3.mol

Synonyms:161511-47-3;AC1NUZM0;DTXSID80420585;(3R)-5-Fluoro-4-oxo-3-[[N-[N-(benzyloxycarbonyl)-L-valyl]-L-alanyl]amino]pentanoic acid;L-alaninamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-[(1R)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-;L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-[1-(carboxymethyl)-3-fluoro-2-oxopropyl]-, (R)- (9CI)

Chemical Property of Cbz-Val-Ala-D-Asp-CH2F

Chemical Property:

• Vapor Pressure: 3.78E-24mmHg at 25°C
• Boiling Point: 758°Cat760mmHg
• Flash Point: 412.2°C
• Density: 1.26g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 453.19112840
• Heavy Atom Count: 32
• Complexity: 680

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC1=CC=CC=C1
• Isomeric SMILES: C[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)CF)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1