TH5
Summary
| Name: | O-acetyl-L-threonine |
| Formula: | C6 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 161.156 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | O-acetyl-L-threonine |
| OpenEye OEToolkits | 1.5.0 | (2S,3R)-3-acetyloxy-2-amino-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC(C(N)C(=O)O)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](OC(C)=O)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](OC(C)=O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]([C@@H](C(=O)O)N)OC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(C(=O)O)N)OC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c1-3(11-4(2)8)5(7)6(9)10/h3,5H,7H2,1-2H3,(H,9,10)/t3-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | GOVSRIMJZNIFHS-WUJLRWPWSA-N |
