BDX
Summary
| Name: | (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one |
| Formula: | C19 H33 N3 O |
| Formal charge: | 0 |
| Formula weight: | 319.485 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methyl-imidazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CN1C(=N)N[C@](CCC2CCCCC2)(CC3CCCCC3)C1=O |
| SMILES | CACTVS | 3.352 | CN1C(=N)N[C](CCC2CCCCC2)(CC3CCCCC3)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)CC3CCCCC3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C19H33N3O/c1-22-17(23)19(21-18(22)20,14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h15-16H,2-14H2,1H3,(H2,20,21)/t19-/m1/s1 |
| InChIKey | InChI | 1.03 | SVQNYPQKWMFQJJ-LJQANCHMSA-N |
