(2S)-2-[[4-[[[2-azanyl-4-oxidanylidene-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[[[2-azanyl-4-oxidanylidene-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[[[2-amino-4-keto-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoyl]amino]glutaric acid Formula: C22H20F3N5O6 MolecularWeight: 507.41931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C3=C(C=C2)NC(=NC3=O)N)C(F)(F)F)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C3=C(C=C2)NC(=NC3=O)N)C(F)(F)F)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H20F3N5O6/c23-22(24,25)17-13(6-5-12-16(17)19(34)30-21(26)29-12)27-9-10-1-3-11(4-2-10)18(33)28-14(20(35)36)7-8-15(31)32/h1-6,14,27H,7-9H2,(H,28,33)(H,31,32)(H,35,36)(H3,26,29,30,34)/t14-/m0/s1