CME
Summary
| Name: | S,S-(2-HYDROXYETHYL)THIOCYSTEINE |
| Formula: | C5 H11 N O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 197.276 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[(2-hydroxyethyl)disulfanyl]-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSSCCO |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSSCCO)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CSSCCO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CSSC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CSSCC(C(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | YPUBRSXDQSFQBA-BYPYZUCNSA-N |
