A1IYS
Summary
| Name: | (2S,5R)-N-(2-azanylethoxy)-1-methanoyl-5-(oxidanylamino)piperidine-2-carboxamide |
| Synonyms: | nacubactam, reacted form |
| Formula: | C9 H18 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 246.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},5~{R})-~{N}-(2-azanylethoxy)-1-methanoyl-5-(oxidanylamino)piperidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H18N4O4/c10-3-4-17-12-9(15)8-2-1-7(11-16)5-13(8)6-14/h6-8,11,16H,1-5,10H2,(H,12,15)/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.06 | SGDIINYEFNSHTO-SFYZADRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCONC(=O)[C@@H]1CC[C@H](CN1C=O)NO |
| SMILES | CACTVS | 3.385 | NCCONC(=O)[CH]1CC[CH](CN1C=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@H](N(C[C@@H]1NO)C=O)C(=O)NOCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(N(CC1NO)C=O)C(=O)NOCCN |
