JOK
Summary
| Name: | ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide |
| Formula: | C13 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 246.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2O3/c16-11(7-6-9-4-2-1-3-5-9)14-10-8-12(17)15-13(10)18/h1-5,10H,6-8H2,(H,14,16)(H,15,17,18)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | VPQQSXIHDPBURE-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CCc1ccccc1)N[C@H]2CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | O=C(CCc1ccccc1)N[CH]2CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCC(=O)N[C@H]2CC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCC(=O)NC2CC(=O)NC2=O |
