5F0
Summary
| Name: | (3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid |
| Synonyms: | 1-methyl isoaspartic acid |
| Formula: | C5 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 147.129 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | SWWBMHIMADRNIK-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](N)CC(O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](N)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C(CC(=O)O)N |
