AKZ
Summary
| Name: | (3S)-3-amino-4,4-dihydroxybutanoic acid |
| Formula: | C4 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 135.119 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-amino-4,4-dihydroxybutanoic acid |
| OpenEye OEToolkits | 1.7.0 | (3S)-3-azanyl-4,4-dihydroxy-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(N)C(O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CC(O)=O)C(O)O |
| SMILES | CACTVS | 3.370 | N[CH](CC(O)=O)C(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C([C@@H](C(O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C(C(O)O)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H9NO4/c5-2(4(8)9)1-3(6)7/h2,4,8-9H,1,5H2,(H,6,7)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | LYEGQEPZJLIWSB-REOHCLBHSA-N |
