2-[4-[3-[[1-azanyl-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-2-(quinolin-3-ylcarbonylamino)propyl]phenyl]-2,2-bis(fluoranyl)ethanoic acid

Systemtic Name: 2-[4-[3-[[1-azanyl-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-2-(quinolin-3-ylcarbonylamino)propyl]phenyl]-2,2-bis(fluoranyl)ethanoic acid Openeye Name: 2-[4-[3-[[2-amino-1-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-2-oxo-ethyl]amino]-3-oxo-2-(quinoline-3-carbonylamino)propyl]phenyl]-2,2-difluoro-acetic acid CAS Name: 2-[4-[3-[[1-amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-oxo-2-[[oxo(3-quinolinyl)methyl]amino]propyl]phenyl]-2,2-difluoroacetic acid IUPAC Name: 2-[4-[3-[[1-amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-oxo-2-(quinoline-3-carbonylamino)propyl]phenyl]-2,2-difluoroacetic acid Traditional Name: 2-[4-[3-[[2-amino-1-[4-[difluoro(phosphono)methyl]benzyl]-2-keto-ethyl]amino]-3-keto-2-(quinoline-3-carbonylamino)propyl]phenyl]-2,2-difluoro-acetic acid Formula: C31H27F4N4O8P MolecularWeight: 690.535454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(=O)NC(CC3=CC=C(C=C3)C(C(=O)O)(F)F)C(=O)NC(CC4=CC=C(C=C4)C(F)(F)P(=O)(O)O)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(=O)NC(CC3=CC=C(C=C3)C(C(=O)O)(F)F)C(=O)NC(CC4=CC=C(C=C4)C(F)(F)P(=O)(O)O)C(=O)N

InChI

InChI=1S/C31H27F4N4O8P/c32-30(33,29(43)44)21-9-5-18(6-10-21)14-25(39-27(41)20-15-19-3-1-2-4-23(19)37-16-20)28(42)38-24(26(36)40)13-17-7-11-22(12-8-17)31(34,35)48(45,46)47/h1-12,15-16,24-25H,13-14H2,(H2,36,40)(H,38,42)(H,39,41)(H,43,44)(H2,45,46,47)