U6A
Summary
| Name: | N-carboxy-L-threonine |
| Formula: | C5 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 163.129 Da |
| Component type: | L-peptide NH3 amino terminus |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-carboxy-L-threonine |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R})-2-(carboxyamino)-3-oxidanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(NC(C(C)O)C(=O)O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO5/c1-2(7)3(4(8)9)6-5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11)/t2-,3+/m1/s1 |
| InChIKey | InChI | 1.03 | OJLPTWSLDBSLEH-GBXIJSLDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@H](NC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](NC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@@H](C(=O)O)NC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C(=O)O)NC(=O)O)O |
