QNW
Summary
| Name: | 3-methylcatechol cysteine |
| Formula: | C10 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 243.28 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-[4-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO4S/c1-5-2-3-7(9(13)8(5)12)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | FMLUMWBOFIKJEP-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(SC[C@H](N)C(O)=O)c(O)c1O |
| SMILES | CACTVS | 3.385 | Cc1ccc(SC[CH](N)C(O)=O)c(O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1O)O)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1O)O)SCC(C(=O)O)N |
