A1IY4
Summary
| Name: | (2S,5R)-1-methanoyl-5-(oxidanylamino)piperidine-2-carboxamide |
| Synonyms: | avibactam, reacted form |
| Formula: | C7 H13 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 187.196 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},5~{R})-1-methanoyl-5-(oxidanylamino)piperidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H13N3O3/c8-7(12)6-2-1-5(9-13)3-10(6)4-11/h4-6,9,13H,1-3H2,(H2,8,12)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.06 | YYMMOYFGEZDTRI-RITPCOANSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@@H]1CC[C@H](CN1C=O)NO |
| SMILES | CACTVS | 3.385 | NC(=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)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(N(CC1NO)C=O)C(=O)N |
