TPJ
Summary
| Name: | (5R)-5-tert-butyl-L-proline |
| Formula: | C9 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 171.237 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R)-5-tert-butyl-L-proline |
| OpenEye OEToolkits | 1.9.2 | (2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NC(C(C)(C)C)CC1 |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO2/c1-9(2,3)7-5-4-6(10-7)8(11)12/h6-7,10H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | ARIXRQYKVWBGSB-NKWVEPMBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)[C@H]1CC[C@H](N1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)[CH]1CC[CH](N1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(C)[C@H]1CC[C@H](N1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(C)C1CCC(N1)C(=O)O |
