(2S)-3-oxidanyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic acid

Systemtic Name: (2S)-3-oxidanyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic acid Openeye Name: (2S)-3-hydroxy-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic acid CAS Name: (2S)-3-hydroxy-2-[[2-(trifluoromethyl)-4-quinazolinyl]amino]propanoic acid IUPAC Name: (2S)-3-hydroxy-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoic acid Traditional Name: (2S)-3-hydroxy-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propionic acid Formula: C12H10F3N3O3 MolecularWeight: 301.22131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC(CO)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C12H10F3N3O3/c13-12(14,15)11-17-7-4-2-1-3-6(7)9(18-11)16-8(5-19)10(20)21/h1-4,8,19H,5H2,(H,20,21)(H,16,17,18)/t8-/m0/s1