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Non-natural sidechain SwissSidechain - NIY

3D view

Name meta-nitro-tyrosine
Molecular Weight [g/mol] 226.19
logP -0.50 (predicted)
Sidechain logP 2.15
Volume [Å3 ] 233.44
Sidechain Volume [Å3 ] 147.78
pKa 0.96 / 9.48 / 6.3-(OH) (predicted)
SMILES O=[C](=O)[C@H](Cc1ccc(c(c1)N(=O)=O)O)[NH3]
D-amino acid code DNIY
PDB References:
L-amino acid PDB   |   Ligand
D-amino acid Not available
PubChem L:  65124
CAS number L: 621-44-3  |  D: 32988-39-9

Download:

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