QO8
Summary
| Name: | 3,4-dimethylcatechol cysteine |
| Formula: | C11 H17 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 259.322 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[(2~{R})-2-azanyl-3,3-bis(oxidanyl)propyl]sulfanyl-3,4-dimethyl-benzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H17NO4S/c1-5-3-8(10(14)9(13)6(5)2)17-4-7(12)11(15)16/h3,7,11,13-16H,4,12H2,1-2H3/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | XKYPIZZJDXSTGC-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(SC[C@H](N)C(O)O)c(O)c(O)c1C |
| SMILES | CACTVS | 3.385 | Cc1cc(SC[CH](N)C(O)O)c(O)c(O)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1C)O)O)SC[C@@H](C(O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1C)O)O)SCC(C(O)O)N |
