JJJ
Summary
| Name: | S-(pyridin-3-ylcarbonyl)-L-cysteine |
| Formula: | C9 H10 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 226.252 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-(pyridin-3-ylcarbonyl)-L-cysteine |
| OpenEye OEToolkits | 1.7.0 | (2R)-2-azanyl-3-pyridin-3-ylcarbonylsulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CSC(=O)c1cccnc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CSC(=O)c1cccnc1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CSC(=O)c1cccnc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)C(=O)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)C(=O)SCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | TUTDPGCNTQUCOY-ZETCQYMHSA-N |
