A1JPL
Summary
| Name: | (3R)-4-amino-3-thiobutyric acid |
| Synonyms: | (3~{R})-4-azanyl-3-sulfanyl-butanoic acid |
| Formula: | C4 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 135.185 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-4-azanyl-3-sulfanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C4H9NO2S/c5-2-3(8)1-4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1 |
| InChIKey | InChI | 1.06 | JXIWMDVDDMAJAI-GSVOUGTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H](S)CC(O)=O |
| SMILES | CACTVS | 3.385 | NC[CH](S)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@H](CN)S)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(CN)S)C(=O)O |
