ALT
Summary
| Name: | THIOALANINE |
| Formula: | C3 H7 N O S |
| Formal charge: | 0 |
| Formula weight: | 105.159 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-aminopropanethioic O-acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-aminopropanethioic O-acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=C(O)C(N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N)C(O)=S |
| SMILES | CACTVS | 3.341 | C[CH](N)C(O)=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=S)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=S)O)N |
| InChI | InChI | 1.03 | InChI=1S/C3H7NOS/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | YXXURDJTDAAEPH-REOHCLBHSA-N |
