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Non-natural sidechain SwissSidechain - IIL

3D view

Name Allo-Isoleucine
Molecular Weight [g/mol] 132.18
logP -1.76
Sidechain logP 2.89
Volume [Å3 ] 171.18
Sidechain Volume [Å3 ] 85.52
pKa 2.79 / 9.59 (predicted)
SMILES CC[C@H]([C@@H](C(=O)O)[NH3])C
D-amino acid code DIIL
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
CAS number L: 1509-34-8  |  D: 1509-35-9


Files L-amino acid D-amino acid
2D structures (PNG)
backbone-dependent rotamers
backbone-independent rotamers
Gromacs topology file
CHARMM topology file