A1JEP
Summary
| Name: | 1-[[(2~{R},3~{R},4~{R})-3-azanyl-4-oxidanyl-oxolan-2-yl]methyl]-3-phenyl-urea |
| Formula: | C12 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 251.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[[(2~{R},3~{R},4~{R})-3-azanyl-4-oxidanyl-oxolan-2-yl]methyl]-3-phenyl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H17N3O3/c13-11-9(16)7-18-10(11)6-14-12(17)15-8-4-2-1-3-5-8/h1-5,9-11,16H,6-7,13H2,(H2,14,15,17)/t9-,10-,11-/m1/s1 |
| InChIKey | InChI | 1.06 | DKTRRSNZKYQBDN-GMTAPVOTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1[C@@H](O)CO[C@@H]1CNC(=O)Nc2ccccc2 |
| SMILES | CACTVS | 3.385 | N[CH]1[CH](O)CO[CH]1CNC(=O)Nc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)NC[C@@H]2[C@@H]([C@H](CO2)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)NCC2C(C(CO2)O)N |
