PDB CCD ID: | 4H0 |
Number of entries in BioLiP: | 0 |
Chemical formula: | C11 H9 F4 N O4 |
InChI: | InChI=1S/C11H9F4NO4/c12-4-1-5(13)10(15)11(9(4)14)20-3-7(17)6(16)2-8(18)19/h1,6H,2-3,16H2,(H,18,19)/t6-/m0/s1 |
InChIKey: | JCOKYDOKWNICJE-LURJTMIESA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | O=C(O)CC(C(=O)COc1c(F)c(F)cc(F)c1F)N | CACTVS 3.370 | N[CH](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F | CACTVS 3.370 | N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F | OpenEye OEToolkits 1.7.6 | c1c(c(c(c(c1F)F)OCC(=O)C(CC(=O)O)N)F)F |
|
Name: | (3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid |
ZINC: | ZINC000098208487 |