EFC
Summary
| Name: | S,S-(2-FLUOROETHYL)THIOCYSTEINE |
| Formula: | C5 H10 F N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 199.267 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[(2-fluoroethyl)disulfanyl]-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(2-fluoroethyldisulfanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FCCSSCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSSCCF)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CSSCCF)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CSSC[C@@H](C(=O)O)N)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CSSCC(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 |
