(2S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-methyl-valeric acid Formula: C15H15BrF3N3O2 MolecularWeight: 406.19771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=NC(=NC2=C1C=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC1=NC(=NC2=C1C=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C15H15BrF3N3O2/c1-7(2)5-11(13(23)24)20-12-9-6-8(16)3-4-10(9)21-14(22-12)15(17,18)19/h3-4,6-7,11H,5H2,1-2H3,(H,23,24)(H,20,21,22)/t11-/m0/s1