QO2
Summary
| Name: | 4,5-dimethylcatechol cysteine |
| Formula: | C11 H15 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 257.306 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-[2,3-dimethyl-5,6-bis(oxidanyl)phenyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO4S/c1-5-3-8(13)9(14)10(6(5)2)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | KLVVDBBGHNYECQ-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(O)c(O)c(SC[C@H](N)C(O)=O)c1C |
| SMILES | CACTVS | 3.385 | Cc1cc(O)c(O)c(SC[CH](N)C(O)=O)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1C)SC[C@@H](C(=O)O)N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1C)SCC(C(=O)O)N)O)O |
