(2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid

Systemtic Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid Openeye Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid CAS Name: (2S)-2-[[2-(trifluoromethyl)-4-quinazolinyl]amino]butanoic acid IUPAC Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoic acid Traditional Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butyric acid Formula: C13H12F3N3O2 MolecularWeight: 299.24849

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CC[C@@H](C(=O)O)NC1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C13H12F3N3O2/c1-2-8(11(20)21)17-10-7-5-3-4-6-9(7)18-12(19-10)13(14,15)16/h3-6,8H,2H2,1H3,(H,20,21)(H,17,18,19)/t8-/m0/s1