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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 54048955Generated: October 28, 2026

3-[(2-chlorophenyl)methyl]-2-n-butyl-N-benzylhistidine ethyl ester

https://huagongshe.com/en/chemical/54048955

3-[(2-chlorophenyl)methyl]-2-n-butyl-N-benzylhistidine ethyl ester molecular structure

Identifiers & Physical Properties

Molecular formulaC26H32ClN3O2
Average molar mass454 g/mol
Monoisotopic mass453.218305 g/mol
SMILESCCCCc1ncc(C[C@H](NCc2ccccc2)C(=O)OCC)n1Cc1ccccc1Cl
InChIKeyLRNLPVGOTJQNGO-DEOSSOPVSA-N
PubChem CID54048955

Chemical & Physical Properties

XLogP5.6
Topological polar surface area56.2
Hydrogen bond donors1
Hydrogen bond acceptors4
Rotatable bonds13
Heavy atoms32
Formal charge0
Complexity543