2-[4-[3-[[1-azanyl-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-2-[(1-methylpyrrol-2-yl)carbonylamino]-3-oxidanylidene-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]-2-[(1-methylpyrrol-2-yl)carbonylamino]-3-oxidanylidene-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]-2-[(1-methylpyrrole-2-carbonyl)amino]-3-oxo-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]-2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-3-oxopropyl]phenyl]-2,2-difluoroacetic acid IUPAC Name: 2-[4-[3-[[1-amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-2-[(1-methylpyrrole-2-carbonyl)amino]-3-oxopropyl]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-[(1-methylpyrrole-2-carbonyl)amino]propyl]phenyl]-2,2-difluoro-acetic acid Formula: C27H27F4N4O8P MolecularWeight: 642.492654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(CC2=CC=C(C=C2)C(C(=O)O)(F)F)C(=O)NC(CC3=CC=C(C=C3)C(F)(F)P(=O)(O)O)C(=O)N

Isomeric SMILES

CN1C=CC=C1C(=O)NC(CC2=CC=C(C=C2)C(C(=O)O)(F)F)C(=O)NC(CC3=CC=C(C=C3)C(F)(F)P(=O)(O)O)C(=O)N

InChI

InChI=1S/C27H27F4N4O8P/c1-35-12-2-3-21(35)24(38)34-20(14-16-4-8-17(9-5-16)26(28,29)25(39)40)23(37)33-19(22(32)36)13-15-6-10-18(11-7-15)27(30,31)44(41,42)43/h2-12,19-20H,13-14H2,1H3,(H2,32,36)(H,33,37)(H,34,38)(H,39,40)(H2,41,42,43)