E8F
Summary
| Name: | (2S)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide |
| Formula: | C16 H25 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 307.388 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-~{N}-oxidanyl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H25N3O3/c1-10(2)7-14(15(20)19-22)18-16(21)17-9-13-6-5-11(3)12(4)8-13/h5-6,8,10,14,22H,7,9H2,1-4H3,(H,19,20)(H2,17,18,21)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | OPDKYCNMBLFHGN-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)NCc1ccc(C)c(C)c1)C(=O)NO |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)NCc1ccc(C)c(C)c1)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1C)CNC(=O)NC(CC(C)C)C(=O)NO |
