IFW
Summary
| Name: | (2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide |
| Formula: | C20 H28 N6 O5 |
| Formal charge: | 0 |
| Formula weight: | 432.474 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H28N6O5/c1-13(2)10-16(20(29)24-30)19(28)21-8-9-26-11-15(23-25-26)12-31-18-7-5-4-6-17(18)22-14(3)27/h4-7,11,13,16,30H,8-10,12H2,1-3H3,(H,21,28)(H,22,27)(H,24,29)/t16-/m1/s1 |
| InChIKey | InChI | 1.06 | OJABORXYWINGBT-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H](C(=O)NO)C(=O)NCCn1cc(COc2ccccc2NC(C)=O)nn1 |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](C(=O)NO)C(=O)NCCn1cc(COc2ccccc2NC(C)=O)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H](C(=O)NCCn1cc(nn1)COc2ccccc2NC(=O)C)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NCCn1cc(nn1)COc2ccccc2NC(=O)C)C(=O)NO |
