EF0
Summary
| Name: | 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-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 |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-8(3-5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | VYYKYNRWNVSARB-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CS)C(=O)N1CCC(CC1)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](CS)C(=O)N1CCC(CC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CS)C(=O)N1CCC(CC1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CS)C(=O)N1CCC(CC1)C(=O)O |
