O2S
Summary
| Name: | (2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid |
| Formula: | C8 H16 O2 S |
| Formal charge: | 0 |
| Formula weight: | 176.276 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H16O2S/c1-5(2)4-7(6(3)11)8(9)10/h5-7,11H,4H2,1-3H3,(H,9,10)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | SKKLDDQIMOJPLA-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H]([C@H](C)S)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH]([CH](C)S)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]([C@H](CC(C)C)C(=O)O)S |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CC(C(C)S)C(=O)O |
