(2R,3S)-2-amino-3-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid

Base Information

• Chemical Name: (2R,3S)-2-amino-3-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid
• CAS No.: 88495-09-4
• Molecular Formula: C10H16 N4 O4
• Molecular Weight: 256.26
• DSSTox Substance ID: DTXSID201008190
• Wikidata: Q83004574
• Mol file: 88495-09-4.mol

Synonyms:histidinomethylalanine;histidinomethylalanine, (R-(R*,S*))-isomer;L-HMeAL;N(tau)-(2'-amino-2'-carboxy-1'-methylethyl)-L-histidine

Chemical Property of (2R,3S)-2-amino-3-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid

Chemical Property:

• Vapor Pressure: 4.53E-16mmHg at 25°C
• Boiling Point: 616.8°C at 760 mmHg
• Flash Point: 326.8°C
• Density: 1.429g/cm³
• XLogP3: -5.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 256.11715500
• Heavy Atom Count: 18
• Complexity: 312

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(C(=O)O)N)NC(CC1=CN=CN1)C(=O)O
• Isomeric SMILES: C[C@@H]([C@H](C(=O)O)N)N[C@@H](CC1=CN=CN1)C(=O)O