LEI
Summary
| Name: | 3-sulfanyl-D-valine |
| Synonyms: | D-PENICILLAMINE |
| Formula: | C5 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 149.211 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-sulfanyl-D-valine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-methyl-3-sulfanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)C(S)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(S)[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)(S)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)([C@H](C(=O)O)N)S |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C(C(=O)O)N)S |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | VVNCNSJFMMFHPL-VKHMYHEASA-N |
