UHK
Summary
| Name: | (S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide |
| Synonyms: | (2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide |
| Formula: | C13 H19 N O S |
| Formal charge: | 0 |
| Formula weight: | 237.361 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H19NOS/c1-9(2)8-12(16)13(15)14-11-6-4-10(3)5-7-11/h4-7,9,12,16H,8H2,1-3H3,(H,14,15)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | BYBVNNWQUAPBOD-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](S)C(=O)Nc1ccc(C)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](S)C(=O)Nc1ccc(C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)NC(=O)[C@H](CC(C)C)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)NC(=O)C(CC(C)C)S |
