[[1-[N-Hydroxy-acetamidyl]-3-methyl-butyl]-carbonyl-leucinyl]-alanine ethyl ester

Base Information

• Chemical Name: [[1-[N-Hydroxy-acetamidyl]-3-methyl-butyl]-carbonyl-leucinyl]-alanine ethyl ester
• CAS No.: 112105-54-1
• Molecular Formula: C19H35 N3 O6
• Molecular Weight: 401.4977
• DSSTox Substance ID: DTXSID70920665
• Nikkaji Number: J830.104B
• Wikidata: Q27097686
• Pharos Ligand ID: XR4D3LLGSJLG
• Metabolomics Workbench ID: 151613
• ChEMBL ID: CHEMBL92608

Synonyms:Ro 31-4724;Ro 314724;Ro-314724

Chemical Property of [[1-[N-Hydroxy-acetamidyl]-3-methyl-butyl]-carbonyl-leucinyl]-alanine ethyl ester

Chemical Property:

• Density: 1.106g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 401.25258584
• Heavy Atom Count: 28
• Complexity: 536

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)CC(=O)NO
• Isomeric SMILES: CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO

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