PRO
Summary
Name: | PROLINE |
Formula: | C5 H9 N O2 |
Formal charge: | 0 |
Formula weight: | 115.13 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | L-proline |
OpenEye OEToolkits | 1.5.0 | (2S)-pyrrolidine-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C1NCCC1 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@@H]1CCCN1 |
SMILES | CACTVS | 3.341 | OC(=O)[CH]1CCCN1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@H](NC1)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(NC1)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 |
InChIKey | InChI | 1.03 | ONIBWKKTOPOVIA-BYPYZUCNSA-N |