ZB6
Summary
| Name: | (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid |
| Formula: | C10 H17 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 231.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1C(C(=O)O)CCCC1C)CCS |
| InChI | InChI | 1.03 | InChI=1S/C10H17NO3S/c1-7-3-2-4-8(10(13)14)11(7)9(12)5-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | UHIOKYGCFGNNCU-HTQZYQBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH]1CCC[CH](N1C(=O)CCS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1CCCC(N1C(=O)CCS)C(=O)O |
