Ile-Ala

Base Information

• Chemical Name: Ile-Ala
• CAS No.: 24787-73-3
• Molecular Formula: C9H18 N2 O3
• Molecular Weight: 202.25
• DSSTox Substance ID: DTXSID60426565
• Nikkaji Number: J1.992.204I
• Wikidata: Q27144375
• Metabolomics Workbench ID: 78836
• ChEMBL ID: CHEMBL54834
• Mol file: 24787-73-3.mol

Synonyms:H-ILE-ALA-OH;24787-73-3;Ile-Ala;Isoleucyl-Alanine;CHEBI:74062;L-isoleucyl-L-alanine;(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;(S)-2-((2S,3S)-2-Amino-3-methylpentanamido)Propanoic acid;N-Isoleucylalanine;L-Ile-L-Ala;CHEMBL54834;SCHEMBL8723097;DTXSID60426565;MFCD00037227;AKOS010420674;Q27144375;(S)-2-((2S,3S)-2-Amino-3-methylpentanamido)Propanoicacid

Chemical Property of Ile-Ala

Chemical Property:

• Boiling Point: 409.7±30.0 °C(Predicted)
• PKA: 3.16±0.10(Predicted)
• PSA: 92.42000
• Density: 1.173 g/cm3(Temp: 26 °C)
• LogP: 1.04030
• Storage Temp.: -15°C
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 202.13174244
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

L-Isoleucyl-L-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(C)C(=O)O)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)N
• Uses: L-Isoleucyl-L-alanine can be used to prepare anti-coronavirus drugs with good virus elimination effect.

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