602
Summary
| Name: | [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate |
| Formula: | C11 H19 N5 O7 S |
| Formal charge: | 0 |
| Formula weight: | 365.363 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H19N5O7S/c17-6-16-5-8(15-23-24(20,21)22)1-2-9(16)11(19)14-13-10(18)7-3-12-4-7/h6-9,12,15H,1-5H2,(H,13,18)(H,14,19)(H,20,21,22)/t8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | HAUQKJYOKXFFAB-BDAKNGLRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)ON[C@@H]1CC[C@H](N(C1)C=O)C(=O)NNC(=O)C2CNC2 |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NNC(=O)C2CNC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)C2CNC2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)C2CNC2 |
