XDT
Summary
| Name: | O-methyl-D-allothreonine |
| Formula: | C5 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 133.146 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-methyl-D-allothreonine |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-azanyl-3-methoxy-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(=O)O)C(OC)C |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4-/m1/s1 |
| InChIKey | InChI | 1.03 | FYCWLJLGIAUCCL-QWWZWVQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H](C)[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CO[CH](C)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC([C@H](C(=O)O)N)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(C(=O)O)N)OC |
