11Q
Summary
| Name: | 1-(cyclohexylmethyl)-L-proline |
| Formula: | C12 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 211.301 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(cyclohexylmethyl)-L-proline |
| OpenEye OEToolkits | 1.7.6 | (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C2N(CC1CCCCC1)CCC2 |
| InChI | InChI | 1.03 | InChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | XRYRJXQJSTWFDB-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@@H]1CCCN1CC2CCCCC2 |
| SMILES | CACTVS | 3.370 | OC(=O)[CH]1CCCN1CC2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)CN2CCC[C@H]2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)CN2CCCC2C(=O)O |
