CKU
Summary
| Name: | (3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid |
| Formula: | C9 H17 N O4 |
| Formal charge: | 0 |
| Formula weight: | 203.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO4/c1-2-3-10-4-6(9(13)14)8(12)7(11)5-10/h6-8,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | RNWXBQBXRPVHBZ-XLPZGREQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN1C[C@@H](O)[C@H](O)[C@H](C1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCN1C[CH](O)[CH](O)[CH](C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCN1C[C@@H]([C@H]([C@@H](C1)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCN1CC(C(C(C1)O)O)C(=O)O |
