A1JEI
Summary
| Name: | 1-[[(2~{R},3~{S},6~{S})-6-(2-hydroxyethyl)-3-oxidanyl-oxan-2-yl]methyl]-3-phenyl-urea |
| Formula: | C15 H22 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 294.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[[(2~{R},3~{S},6~{S})-6-(2-hydroxyethyl)-3-oxidanyl-oxan-2-yl]methyl]-3-phenyl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H22N2O4/c18-9-8-12-6-7-13(19)14(21-12)10-16-15(20)17-11-4-2-1-3-5-11/h1-5,12-14,18-19H,6-10H2,(H2,16,17,20)/t12-,13+,14?/m1/s1 |
| InChIKey | InChI | 1.06 | POOIMVMZLXGVND-AMIUJLCOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC[C@@H]1CC[C@H](O)[C@@H](CNC(=O)Nc2ccccc2)O1 |
| SMILES | CACTVS | 3.385 | OCC[CH]1CC[CH](O)[CH](CNC(=O)Nc2ccccc2)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)NC[C@@H]2[C@H](CC[C@H](O2)CCO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)NCC2C(CCC(O2)CCO)O |
