PH6
Summary
| Name: | (4S)-4-cyclohexyl-L-proline |
| Formula: | C11 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 197.274 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-4-cyclohexyl-L-proline |
| OpenEye OEToolkits | 1.7.6 | (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C2NCC(C1CCCCC1)C2 |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | XRZWVSXEDRYQGC-ZJUUUORDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1C[C@H](CN1)C2CCCCC2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1C[CH](CN1)C2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)C2CC(NC2)C(=O)O |
