XBN
Summary
| Name: | (2~{S})-2-(2-hexylhydrazinyl)-3-oxidanyl-propanoic acid |
| Formula: | C9 H20 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 204.267 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(2-hexylhydrazinyl)-3-oxidanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H20N2O3/c1-2-3-4-5-6-10-11-8(7-12)9(13)14/h8,10-12H,2-7H2,1H3,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | HIBZWEWQIZJYRX-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCNN[C@@H](CO)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCNN[CH](CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCNN[C@@H](CO)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCNNC(CO)C(=O)O |
