PCA
Summary
Name: | PYROGLUTAMIC ACID |
Formula: | C5 H7 N O3 |
Formal charge: | 0 |
Formula weight: | 129.114 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 5-oxo-L-proline |
OpenEye OEToolkits | 1.5.0 | (2S)-5-oxopyrrolidine-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C1NC(=O)CC1 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@@H]1CCC(=O)N1 |
SMILES | CACTVS | 3.341 | OC(=O)[CH]1CCC(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CC(=O)N[C@@H]1C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(=O)NC1C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | ODHCTXKNWHHXJC-VKHMYHEASA-N |