3E3
Summary
| Name: | (2S,3S)-3-amino-N-(2,4-dimethylphenyl)-2-hydroxy-5-methylhexanamide |
| Formula: | C15 H24 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 264.363 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S)-3-amino-N-(2,4-dimethylphenyl)-2-hydroxy-5-methylhexanamide |
| OpenEye OEToolkits | 1.7.6 | (2S,3S)-3-azanyl-N-(2,4-dimethylphenyl)-5-methyl-2-oxidanyl-hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccc(cc1C)C)C(O)C(N)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H24N2O2/c1-9(2)7-12(16)14(18)15(19)17-13-6-5-10(3)8-11(13)4/h5-6,8-9,12,14,18H,7,16H2,1-4H3,(H,17,19)/t12-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | XWFQWPNLHKGJIR-JSGCOSHPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](N)[C@H](O)C(=O)Nc1ccc(C)cc1C |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](N)[CH](O)C(=O)Nc1ccc(C)cc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)C)NC(=O)C(C(CC(C)C)N)O |
