PDB CCD ID: | FX9 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C10 H10 F3 N O2 |
InChI: | InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1 |
InChIKey: | BURBNIPKSRJAIQ-QMMMGPOBSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | N[C@@H](Cc1cccc(c1)C(F)(F)F)C(O)=O | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)C(F)(F)F)CC(C(=O)O)N | CACTVS 3.385 | N[CH](Cc1cccc(c1)C(F)(F)F)C(O)=O | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)C(F)(F)F)C[C@@H](C(=O)O)N |
|
Name: | (2S)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid |
ChEMBL: | CHEMBL4247645 |
ZINC: | ZINC000002170205 |