PDB CCD ID: | 55I |
Number of entries in BioLiP: | 0 |
Chemical formula: | C10 H10 F3 N O2 |
InChI: | InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1 |
InChIKey: | CRFFPDBJLGAGQL-QMMMGPOBSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(O)=O | CACTVS 3.385 | N[CH](Cc1ccc(cc1)C(F)(F)F)C(O)=O | ACDLabs 12.01 | FC(F)(F)c1ccc(CC(N)C(=O)O)cc1 | OpenEye OEToolkits 2.0.7 | c1cc(ccc1CC(C(=O)O)N)C(F)(F)F | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)F |
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Name: | 4-(trifluoromethyl)-L-phenylalanine |
ZINC: | ZINC000002149429 |