PDB CCD ID: | BQ7 |
Number of entries in BioLiP: | 16 |
Chemical formula: | C9 H9 F2 N O2 |
InChI: | InChI=1S/C9H9F2NO2/c10-9(11,8(13)14)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2,(H,13,14)/t7-/m0/s1 |
InChIKey: | RNXZEHZGLUONSK-ZETCQYMHSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | N[C@@H](c1ccccc1)C(F)(F)C(O)=O | ACDLabs 12.01 | O=C(O)C(F)(F)C(N)c1ccccc1 | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)C(C(C(=O)O)(F)F)N | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)[C@@H](C(C(=O)O)(F)F)N | CACTVS 3.385 | N[CH](c1ccccc1)C(F)(F)C(O)=O |
|
Name: | (3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid |
ZINC: | ZINC000005175274 |