Acetylpepstatin

Base Information

• Chemical Name: Acetylpepstatin
• CAS No.: 28575-34-0
• Molecular Formula: C31H57N5O9
• Molecular Weight: 643.81
• Hs Code.: 2924190090
• DSSTox Substance ID: DTXSID70182781
• Nikkaji Number: J420.945A
• Wikidata: Q76309335
• Metabolomics Workbench ID: 130102
• ChEMBL ID: CHEMBL301728
• Mol file: 28575-34-0.mol

Synonyms:Ac-pepstatin;Ac-Val-Val-4-amino-3-hydroxy-6-Me-heptanoyl-Ala-4-amino-3-hydroxyl-6-Me-heptanoic acid;Ac-Val-Val-Sta-Ala-Sta;acetyl pepstatin;acetyl-pepstatin;acetylpepstatin;acetylvalylvalyl-4-amino-3-hydroxy-6-methylheptanoylalanyl-4-amino-3-hydroxyl-6-methylheptanoic acid;Streptomyces pepsin inhibitor

Chemical Property of Acetylpepstatin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 992.8°Cat760mmHg
• Flash Point: 554.2°C
• PSA: 223.26000
• Density: 1.142g/cm³
• LogP: 2.39550
• Storage Temp.: −20°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 20
• Exact Mass: 643.41562841
• Heavy Atom Count: 45
• Complexity: 1000

Purity/Quality:

98%Min ^*data from raw suppliers

Acetyl-Pepstatin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C)O
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C)O
• Uses: Acetyl Pepstatin is an HIV-1 protease inhibitor.