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 |