9DU
Summary
| Name: | (2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide |
| Formula: | C11 H15 N O S |
| Formal charge: | 0 |
| Formula weight: | 209.308 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-methyl-~{N}-(phenylmethyl)-3-sulfanyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15NOS/c1-9(8-14)11(13)12-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H,12,13)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | OOFLQSFFPITNLC-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CS)C(=O)NCc1ccccc1 |
| SMILES | CACTVS | 3.385 | C[CH](CS)C(=O)NCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CS)C(=O)NCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CS)C(=O)NCc1ccccc1 |
