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Non-natural sidechain SwissSidechain - I2M

3D view

Name 3-methyl-l-alloisoleucine
Molecular Weight [g/mol] 146.21
logP -1.28 (predicted)
Sidechain logP 2.64 (predicted)
Volume [Å3 ] 184.17
Sidechain Volume [Å3 ] 98.51
pKa 2.85 / 9.31 (predicted)
SMILES CCC([C@@H](C(=O)O)[NH3])(C)C
D-amino acid code DI2M
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem
CAS number

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Files L-amino acid D-amino acid
PDB
MOL2
2D structures (PNG)
backbone-dependent rotamers
backbone-independent rotamers
Gromacs topology file
CHARMM topology file