UHE
Summary
| Name: | (S)-2-mercapto-N-(4-methoxyphenyl)-4-methylpentanamide |
| Synonyms: | (2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide |
| Formula: | C13 H19 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 253.36 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H19NO2S/c1-9(2)8-12(17)13(15)14-10-4-6-11(16-3)7-5-10/h4-7,9,12,17H,8H2,1-3H3,(H,14,15)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | HDLRYABNVVOQJO-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(NC(=O)[C@@H](S)CC(C)C)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(NC(=O)[CH](S)CC(C)C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)Nc1ccc(cc1)OC)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)Nc1ccc(cc1)OC)S |
