EFC
S,S-(2-FLUOROETHYL)THIOCYSTEINE
| Created: | 1999-07-08 |
| Last modified: | 2024-09-27 |
Find Related PDB Entry |
|---|
Find related ligands: |
|---|
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 21 |
| Chiral Atom Count | 1 |
| Bond Count | 20 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
|---|---|
| Name | S,S-(2-FLUOROETHYL)THIOCYSTEINE |
| Systematic Name (OpenEye OEToolkits) | (2R)-2-amino-3-(2-fluoroethyldisulfanyl)propanoic acid |
| Formula | C5 H10 F N O2 S2 |
| Molecular Weight | 199.267 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FCCSSCC(C(=O)O)N |
| SMILES | CACTVS | 3.341 | N[CH](CSSCCF)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CSSCC(C(=O)O)N)F |
| Canonical SMILES | CACTVS | 3.341 | N[C@@H](CSSCCF)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(CSSC[C@@H](C(=O)O)N)F |
| InChI | InChI | 1.03 | InChI=1S/C5H10FNO2S2/c6-1-2-10-11-3-4(7)5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | KQUQTCUPTPNNHF-BYPYZUCNSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 49866941 |














