Acetylphenylalanyl-prolyl-boroarginine

Base Information

• Chemical Name: Acetylphenylalanyl-prolyl-boroarginine
• CAS No.: 130982-43-3
• Molecular Formula: C21H33 B N6 O5
• Molecular Weight: 460.33
• DSSTox Substance ID: DTXSID70156826
• Wikidata: Q27077128
• Pharos Ligand ID: BPQSHSX44B3Q
• ChEMBL ID: CHEMBL290376
• Mol file: 130982-43-3.mol

Synonyms:Ac-Phe-Pro-boroArg-OH;acetylphenylalanyl-prolyl-boroarginine;Dup 714;Dup-714;DuP714

Chemical Property of Acetylphenylalanyl-prolyl-boroarginine

Chemical Property:

• PSA: 187.85000
• Density: 1.34g/cm³
• LogP: 1.71420
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 460.2605483
• Heavy Atom Count: 33
• Complexity: 697

Purity/Quality:

DUP-714 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)C)(O)O
• Isomeric SMILES: B([C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C)(O)O

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