0QL
Summary
| Name: | 3-[(2-aminoethyl)disulfanyl]-L-alanine |
| Synonyms: | CYS-MTSEA |
| Formula: | C5 H12 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 196.291 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2-aminoethyl)disulfanyl]-L-alanine |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-azanyl-3-(2-azanylethyldisulfanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CSSCCN |
| InChI | InChI | 1.03 | InChI=1S/C5H12N2O2S2/c6-1-2-10-11-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | WYQFVGPQTGCDJH-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCSSC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | NCCSSC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CSSC[C@@H](C(=O)O)N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CSSCC(C(=O)O)N)N |
