QNT
Summary
Name: | 3,6-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-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]sulfanyl-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C11H15NO4S/c1-5-3-8(6(2)10(14)9(5)13)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 | UEMGXFDZIILASV-ZETCQYMHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(SC[C@H](N)C(O)=O)c(C)c(O)c1O |
SMILES | CACTVS | 3.385 | Cc1cc(SC[CH](N)C(O)=O)c(C)c(O)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1O)O)C)SC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1O)O)C)SCC(C(=O)O)N |