8KR
Summary
| Name: | (2R)-4-methyl-2-[(2-methylphenyl)carbamoylamino]-N-oxidanyl-pentanamide |
| Formula: | C14 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 279.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-4-methyl-2-[(2-methylphenyl)carbamoylamino]-~{N}-oxidanyl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H21N3O3/c1-9(2)8-12(13(18)17-20)16-14(19)15-11-7-5-4-6-10(11)3/h4-7,9,12,20H,8H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | YFYYARIPVYPKOB-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H](NC(=O)Nc1ccccc1C)C(=O)NO |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)Nc1ccccc1C)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1NC(=O)N[C@H](CC(C)C)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1NC(=O)NC(CC(C)C)C(=O)NO |
