A0A
Summary
| Name: | (2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACID |
| Formula: | C5 H7 N O5 |
| Formal charge: | 0 |
| Formula weight: | 161.113 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-(formyloxy)-4-oxobutanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-methanoyloxy-4-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC=O)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(=O)OC=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC(=O)OC=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)N)C(=O)OC=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)C(=O)OC=O |
| InChI | InChI | 1.03 | InChI=1S/C5H7NO5/c6-3(5(9)10)1-4(8)11-2-7/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | GWMBYHNCVMJVDI-VKHMYHEASA-N |
