Perhydroazepin-1-yl leucyl-tryptophyl-tryptophan

Base Information

• Chemical Name: Perhydroazepin-1-yl leucyl-tryptophyl-tryptophan
• CAS No.: 141594-26-5
• Molecular Formula: C35H44 N6 O5
• Molecular Weight: 628.77
• ChEMBL ID: CHEMBL2074707
• Mol file: 141594-26-5.mol

Synonyms:BQ 485;BQ-485;perhydroazepin-1-yl leucyl-tryptophyl-tryptophan;perhydroazepin-1-yl-Leu-Trp-Trp

Chemical Property of Perhydroazepin-1-yl leucyl-tryptophyl-tryptophan

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1023.4°Cat760mmHg
• Flash Point: 572.8°C
• Density: 1.28g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 628.33731853
• Heavy Atom Count: 46
• Complexity: 1050

Purity/Quality:

BQ 485 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)N5CCCCCC5
• Isomeric SMILES: CC(C)C[C@@H](C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)N5CCCCCC5