OTH
Summary
| Name: | N,O-dimethyl-L-threonine |
| Formula: | C6 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 147.172 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N,O-dimethyl-L-threonine |
| OpenEye OEToolkits | 1.7.0 | (2S,3R)-3-methoxy-2-(methylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC)C(OC)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CN[C@@H]([C@@H](C)OC)C(O)=O |
| SMILES | CACTVS | 3.370 | CN[CH]([CH](C)OC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]([C@@H](C(=O)O)NC)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(C(=O)O)NC)OC |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO3/c1-4(10-3)5(7-2)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t4-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | ZLRWZUVKLXZLRT-UHNVWZDZSA-N |
