Non-natural sidechain SwissSidechain - CCS
3D view
| Name | carboxymethylated cysteine |
| Molecular Weight [g/mol] | 179.19 |
| logP | -2.24 (predicted) |
| Sidechain logP | 1.35 (predicted) |
| Volume [Å3 ] | 183.74 |
| Sidechain Volume [Å3 ] | 98.08 |
| pKa | 1.84 / 9.14 / 4.05 (predicted) |
| SMILES | O=[C](=O)CSC[C@@H](C(=O)O)[NH3] |
| D-amino acid code | DCCS |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 193653 | D: 6452242 |
| CAS number | L: 638-23-3 | D: 50698-76-5 |
Download:
| Files | L-amino acid | D-amino acid | |
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| MOL2 | |
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| 2D structures (PNG) | |
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| backbone-dependent rotamers | |
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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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