157
Summary
| Name: | 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE |
| Synonyms: | GR157368 |
| Formula: | C12 H22 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 226.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1E,6R)-6-[(1R,2S)-2-hydroxycyclopentyl]-7-oxoheptanimidamide |
| OpenEye OEToolkits | 1.5.0 | (6R)-6-[(1R,2S)-2-hydroxycyclopentyl]-7-oxo-heptanimidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CC(CCCCC(=[N@H])N)C1CCCC1O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)CCCC[C@@H](C=O)[C@H]1CCC[C@@H]1O |
| SMILES | CACTVS | 3.341 | NC(=N)CCCC[CH](C=O)[CH]1CCC[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@@H]([C@H](C1)O)[C@@H](CCCCC(=N)N)C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(C(C1)O)C(CCCCC(=N)N)C=O |
| InChI | InChI | 1.03 | InChI=1S/C12H22N2O2/c13-12(14)7-2-1-4-9(8-15)10-5-3-6-11(10)16/h8-11,16H,1-7H2,(H3,13,14)/t9-,10+,11-/m0/s1 |
| InChIKey | InChI | 1.03 | FCDJKFJACUMSOZ-AXFHLTTASA-N |
