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:
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| MOL2 | |
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| 2D structures (PNG) | |
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| backbone-independent rotamers | |
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| Gromacs topology file | |
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| CHARMM topology file | |
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