XCN
Summary
| Name: | S-cyano-L-cysteine |
| Formula: | C4 H6 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 146.168 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-cyano-L-cysteine |
| OpenEye OEToolkits | 1.7.0 | (2R)-2-azanyl-3-thiocyanato-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CSC#N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CSC#N)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CSC#N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C([C@@H](C(=O)O)N)SC#N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C(C(=O)O)N)SC#N |
| InChI | InChI | 1.03 | InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | SZWQJLWRBFBNHI-VKHMYHEASA-N |
