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Chemical structure of H-Leu-Leu-Leu-NH₂

GA22629

H-Leu-Leu-Leu-NH₂

Also known as (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide

The self-assembly of trileucine amide generates a unique hydrophobic pore in its crystal structure, in which the C-terminal amide groups induce the cylindrical arrangement of Leu side chains by intermolecular NH···O hydrogen bonds, as shown by In and Ishida· This body-centered cubic-type pore provides a structural basis for devising the material to selectively extract low-molecular hydrophobic molecule such as methane

ChemicalCAS73237-77-1MW356.51FormulaC18H36N4O3
CAS number
73237-77-1
Molecular weight
356.51
Formula
C18H36N4O3
Solubility
Soluble in DMSO
InChIKey
CYLLPCVOISPTLZ-KKUMJFAQSA-N
Catalogue number
GA22629
Brand
GLPBIO
Computed properties PubChem CID 7282367 · XLogP 0.7 · TPSA 127 Ų · H-bond donors 4
XLogP
0.7
TPSA
127 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
25

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)N

Computed descriptors from PubChem (CID 7282367), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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