(2S,3S)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]ammonio]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]ammonio]butyrate Formula: C14H14F3N3O3 MolecularWeight: 329.27447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3N3O3/c1-6-3-4-9-8(5-6)11(19-10(7(2)21)12(22)23)20-13(18-9)14(15,16)17/h3-5,7,10,21H,1-2H3,(H,22,23)(H,18,19,20)/t7-,10-/m0/s1