N-Acetyldehydrophenylalanyl-valyl-valine methyl ester

Base Information

• Chemical Name: N-Acetyldehydrophenylalanyl-valyl-valine methyl ester
• CAS No.: 136767-21-0
• Molecular Formula: C22H31 N3 O5
• Molecular Weight: 417.5
• Mol file: 136767-21-0.mol

Synonyms:ADPVVOCH3;N-Ac-dehydro-Phe-Val-Val-OCH3;N-acetyldehydrophenylalanyl-valyl-valine methyl ester

Chemical Property of N-Acetyldehydrophenylalanyl-valyl-valine methyl ester

Chemical Property:

• Vapor Pressure: 1.62E-18mmHg at 25°C
• Boiling Point: 683.1°Cat760mmHg
• Flash Point: 366.9°C
• PSA: 124.07000
• Density: 1.135g/cm³
• LogP: 4.13910
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 417.22637110
• Heavy Atom Count: 30
• Complexity: 651

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)C)C(=O)OC)NC(=O)C(=CC1=CC=CC=C1)NC(=O)C
• Isomeric SMILES: CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C