QMB
Summary
| Name: | 5-Mercapto-norvaline |
| Synonyms: | (2S)-2-azanyl-5-sulfanyl-pentanoic acid |
| Formula: | C5 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 149.211 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-azanyl-5-sulfanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO2S/c6-4(5(7)8)2-1-3-9/h4,9H,1-3,6H2,(H,7,8)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | TUMGFDAVJXBHMU-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCS)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(C[C@@H](C(=O)O)N)CS |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(CC(C(=O)O)N)CS |
