YOZ
Summary
| Name: | (2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide |
| Synonyms: | Relebactam, the acylated, desulfated, imine-hydrolysis intermediate |
| Formula: | C12 H22 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 270.328 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S},5~{R})-5-azanyl-1-methanoyl-5-oxidanyl-~{N}-piperidin-4-yl-piperidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1(N)CCC(C(=O)NC2CCNCC2)N(C=O)C1 |
| InChI | InChI | 1.06 | InChI=1S/C12H22N4O3/c13-12(19)4-1-10(16(7-12)8-17)11(18)15-9-2-5-14-6-3-9/h8-10,14,19H,1-7,13H2,(H,15,18)/t10-,12+/m0/s1 |
| InChIKey | InChI | 1.06 | SWVCDWJYHKCKJJ-CMPLNLGQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@]1(O)CC[C@H](N(C1)C=O)C(=O)NC2CCNCC2 |
| SMILES | CACTVS | 3.385 | N[C]1(O)CC[CH](N(C1)C=O)C(=O)NC2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@@](CN([C@@H]1C(=O)NC2CCNCC2)C=O)(N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(CN(C1C(=O)NC2CCNCC2)C=O)(N)O |
