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

Systemtic Name: (2S)-2-[[2,5-bis(fluoranyl)-4-[methyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[2,5-difluoro-4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[2,5-difluoro-4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[2,5-difluoro-4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[2,5-difluoro-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C23H22F2N4O6 MolecularWeight: 488.440786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=C(C=C(C(=C3)F)C(=O)NC(CCC(=O)O)C(=O)O)F

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=C(C=C(C(=C3)F)C(=O)N[C@@H](CCC(=O)O)C(=O)O)F

InChI

InChI=1S/C23H22F2N4O6/c1-11-26-17-4-3-12(7-14(17)22(33)27-11)10-29(2)19-9-15(24)13(8-16(19)25)21(32)28-18(23(34)35)5-6-20(30)31/h3-4,7-9,18H,5-6,10H2,1-2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t18-/m0/s1