5VR
Summary
| Name: | [[(3~{R},6~{S})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate |
| Formula: | C9 H16 N4 O7 S |
| Formal charge: | 0 |
| Formula weight: | 324.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | [[(3~{R},6~{S})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H16N4O7S/c1-6(15)10-11-9(16)8-3-2-7(4-13(8)5-14)12-20-21(17,18)19/h5,7-8,12H,2-4H2,1H3,(H,10,15)(H,11,16)(H,17,18,19)/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | XVXACCGCTLPGSZ-SFYZADRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NNC(=O)[C@@H]1CC[C@H](CN1C=O)NO[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)NNC(=O)[CH]1CC[CH](CN1C=O)NO[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(=O)NNC(=O)[C@@H]1CC[C@H](CN1C=O)NOS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=O)NNC(=O)C1CCC(CN1C=O)NOS(=O)(=O)O |
