A1IM0
Summary
| Name: | (2R)-2-(2-methylpropyl)-N-oxidanyl-N'-[(3R)-2-oxidanylidene-1-phenyl-pyrrolidin-3-yl]propanediamide |
| Formula: | C17 H23 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 333.382 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(2-methylpropyl)-~{N}-oxidanyl-~{N}'-[(3~{R})-2-oxidanylidene-1-phenyl-pyrrolidin-3-yl]propanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H23N3O4/c1-11(2)10-13(16(22)19-24)15(21)18-14-8-9-20(17(14)23)12-6-4-3-5-7-12/h3-7,11,13-14,24H,8-10H2,1-2H3,(H,18,21)(H,19,22)/t13-,14-/m1/s1 |
| InChIKey | InChI | 1.06 | RAADPVSTVJEXHI-ZIAGYGMSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H](C(=O)NO)C(=O)N[C@@H]1CCN(C1=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](C(=O)NO)C(=O)N[CH]1CCN(C1=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H](C(=O)N[C@@H]1CCN(C1=O)c2ccccc2)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NC1CCN(C1=O)c2ccccc2)C(=O)NO |
