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

Systemtic Name: 5-azanyl-2-[[4-[[(5-fluoranyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanoic acid Openeye Name: 5-amino-2-[[4-[[(5-fluoro-2-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanoic acid CAS Name: 5-amino-2-[[[4-[[(5-fluoro-2-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-amino-2-[[4-[[(5-fluoro-2-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanoic acid Traditional Name: 5-amino-2-[[4-[[(5-fluoro-4-keto-2-methyl-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]valeric acid Formula: C22H24FN5O4 MolecularWeight: 441.455463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2F)NCC3=CC=C(C=C3)C(=O)NC(CCCN)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2F)NCC3=CC=C(C=C3)C(=O)NC(CCCN)C(=O)O

InChI

InChI=1S/C22H24FN5O4/c1-12-26-15-8-9-16(19(23)18(15)21(30)27-12)25-11-13-4-6-14(7-5-13)20(29)28-17(22(31)32)3-2-10-24/h4-9,17,25H,2-3,10-11,24H2,1H3,(H,28,29)(H,31,32)(H,26,27,30)