E8C
Summary
| Name: | (2R)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide |
| Formula: | C14 H19 F2 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 315.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H19F2N3O3/c1-8(2)5-12(13(20)19-22)18-14(21)17-7-9-3-4-10(15)6-11(9)16/h3-4,6,8,12,22H,5,7H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | IJLRZCJOVWWKMB-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H](NC(=O)NCc1ccc(F)cc1F)C(=O)NO |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)NCc1ccc(F)cc1F)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)C[C@H](C(=O)NO)NC(=O)NCc1ccc(cc1F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CC(C(=O)NO)NC(=O)NCc1ccc(cc1F)F |
