CCS
Summary
| Name: | CARBOXYMETHYLATED CYSTEINE |
| Formula: | C5 H9 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 179.194 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-(carboxymethyl)-L-cysteine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CSCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)N)SCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)SCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | GBFLZEXEOZUWRN-VKHMYHEASA-N |
