(2S,3S)-3-methyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]ammonio]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[2-(trifluoromethyl)-4-quinazolinyl]ammonio]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]ammonio]valerate Formula: C15H16F3N3O2 MolecularWeight: 327.30165

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C15H16F3N3O2/c1-3-8(2)11(13(22)23)20-12-9-6-4-5-7-10(9)19-14(21-12)15(16,17)18/h4-8,11H,3H2,1-2H3,(H,22,23)(H,19,20,21)/t8-,11-/m0/s1