P4B
Summary
| Name: | (2~{R})-4-azanyl-2-[[(1~{S})-1-oxidanylethyl]amino]butanoic acid |
| Formula: | C6 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 162.187 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-4-azanyl-2-[[(1~{S})-1-oxidanylethyl]amino]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H14N2O3/c1-4(9)8-5(2-3-7)6(10)11/h4-5,8-9H,2-3,7H2,1H3,(H,10,11)/t4-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | WSKLDXXLKTXXMW-CRCLSJGQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)N[C@H](CCN)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)N[CH](CCN)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](N[C@H](CCN)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(NC(CCN)C(=O)O)O |
