HQA
Summary
| Name: | 3-(8-hydroxyquinolin-3-yl)-L-alanine |
| Formula: | C12 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.235 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(8-hydroxyquinolin-3-yl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(8-hydroxyquinolin-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc1cc2cccc(O)c2nc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1cnc2c(O)cccc2c1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1cnc2c(O)cccc2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2cc(cnc2c(c1)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2cc(cnc2c(c1)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O3/c13-9(12(16)17)5-7-4-8-2-1-3-10(15)11(8)14-6-7/h1-4,6,9,15H,5,13H2,(H,16,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | XLOULZPUVVVWES-VIFPVBQESA-N |
