(2S)-4-azanyl-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-keto-butyric acid Formula: C13H10BrF3N4O3 MolecularWeight: 407.14271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C13H10BrF3N4O3/c14-5-1-2-7-6(3-5)10(21-12(20-7)13(15,16)17)19-8(11(23)24)4-9(18)22/h1-3,8H,4H2,(H2,18,22)(H,23,24)(H,19,20,21)/t8-/m0/s1