W6Q
Summary
| Name: | (2~{R},3~{S})-3-azanyl-~{N}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide |
| Formula: | C13 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 236.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{S})-3-azanyl-~{N}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2O2/c1-8-4-5-9(2)11(6-8)7-15-13(17)12(16)10(3)14/h4-6,10,12,16H,7,14H2,1-3H3,(H,15,17)/t10-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | VHLSQFGLCXFUNO-CMPLNLGQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)[C@@H](O)C(=O)NCc1cc(C)ccc1C |
| SMILES | CACTVS | 3.385 | C[CH](N)[CH](O)C(=O)NCc1cc(C)ccc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1)CNC(=O)[C@@H]([C@H](C)N)O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1)CNC(=O)C(C(C)N)O)C |
