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

Systemtic Name: (2S)-3-oxidanyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate Openeye Name: (2S)-3-hydroxy-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[2-(trifluoromethyl)-4-quinazolinyl]amino]propanoate IUPAC Name: (2S)-3-hydroxy-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propionate Formula: C12H9F3N3O3- MolecularWeight: 300.21337

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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)/p-1/t8-/m0/s1