2-[4-[3-[[1-azanyl-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-2-(2-pyrimidin-2-ylsulfanylethanoylamino)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-(2-pyrimidin-2-ylsulfanylethanoylamino)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-[(2-pyrimidin-2-ylsulfanylacetyl)amino]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-[[1-oxo-2-(2-pyrimidinylthio)ethyl]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-[(2-pyrimidin-2-ylsulfanylacetyl)amino]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-[[2-(2-pyrimidylthio)acetyl]amino]propyl]phenyl]-2,2-difluoro-acetic acid Formula: C27H26F4N5O8PS MolecularWeight: 687.556414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=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

C1=CN=C(N=C1)SCC(=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/C27H26F4N5O8PS/c28-26(29,24(40)41)17-6-2-16(3-7-17)13-20(35-21(37)14-46-25-33-10-1-11-34-25)23(39)36-19(22(32)38)12-15-4-8-18(9-5-15)27(30,31)45(42,43)44/h1-11,19-20H,12-14H2,(H2,32,38)(H,35,37)(H,36,39)(H,40,41)(H2,42,43,44)