Synonyms
β-Alanyl-L-histidine
IUPAC Name
(2S)-2-(3-Aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
Molecular Formula
C9H14N4O3
Canonical SMILES
C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN
InChI
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChI Key
CQOVPNPJLQNMDC-ZETCQYMHSA-N
Melting Point
253 °C(lit.)
Hazard Statements
Xn: Harmful;
Isomeric SMILES
C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN
Monoisotopic Mass
226.10659032
Stability
Stable, but may be heat sensitive - store cold. Incompatible with strong oxidizing agents.
Topological Polar Surface Area
121 Ų