(2S)-4-methyl-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanoate Openeye Name: (2S)-4-methyl-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]pentanoate CAS Name: (2S)-4-methyl-2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]ammonio]pentanoate IUPAC Name: (2S)-4-methyl-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanoate Traditional Name: (2S)-4-methyl-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]valerate Formula: C16H18F3N3O2 MolecularWeight: 341.32823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2[NH2+]C(CC(C)C)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2[NH2+][C@@H](CC(C)C)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H18F3N3O2/c1-8(2)6-12(14(23)24)20-13-10-7-9(3)4-5-11(10)21-15(22-13)16(17,18)19/h4-5,7-8,12H,6H2,1-3H3,(H,23,24)(H,20,21,22)/t12-/m0/s1