6KM
Summary
| Name: | S-propanoyl-L-cysteine |
| Formula: | C6 H11 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 177.221 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-propanoyl-L-cysteine |
| OpenEye OEToolkits | 2.0.4 | (2~{R})-2-azanyl-3-propanoylsulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CSC(CC)=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO3S/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | PFQQQKYLKYCDDY-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)SC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC(=O)SC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCC(=O)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCC(=O)SCC(C(=O)O)N |
