THC
Summary
| Name: | N-METHYLCARBONYLTHREONINE |
| 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 | N-acetyl-L-threonine |
| OpenEye OEToolkits | 1.5.0 | (2S,3R)-2-acetamido-3-hydroxy-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)C)C(O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O)[C@H](NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](O)[CH](NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]([C@@H](C(=O)O)NC(=O)C)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(C(=O)O)NC(=O)C)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | PEDXUVCGOLSNLQ-WUJLRWPWSA-N |
