CHQ
Summary
| Name: | CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR |
| Synonyms: | (3S,8AR)-3-(1H-IMIDAZOL-5-YLMETHYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE |
| Formula: | C11 H14 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 234.254 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S,8aS)-3-(1H-imidazol-5-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| OpenEye OEToolkits | 1.5.0 | (3S,8aS)-3-(3H-imidazol-4-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N3CCCC3C(=O)NC1Cc2cncn2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1N[C@@H](Cc2[nH]cnc2)C(=O)N3CCC[C@@H]13 |
| SMILES | CACTVS | 3.341 | O=C1N[CH](Cc2[nH]cnc2)C(=O)N3CCC[CH]13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c([nH]cn1)CC2C(=O)N3CCCC3C(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | NAKUGCPAQTUSBE-IUCAKERBSA-N |
