O7A
Summary
| Name: | N-methyl-L-allothreonine |
| Formula: | C5 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 133.146 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-L-allothreonine |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-2-(methylamino)-3-oxidanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(C(=O)O)C(O)C |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4-/m0/s1 |
| InChIKey | InChI | 1.03 | CCAIIPMIAFGKSI-IMJSIDKUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H]([C@H](C)O)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH]([CH](C)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]([C@@H](C(=O)O)NC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C(=O)O)NC)O |
