2-[[3-[4-[1,1-bis(fluoranyl)-2-oxidanyl-2-oxidanylidene-ethyl]phenyl]-2-[(4-oxidanylidenechromen-2-yl)carbonylamino]propanoyl]amino]-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]propanoic acid

Systemtic Name: 2-[[3-[4-[1,1-bis(fluoranyl)-2-oxidanyl-2-oxidanylidene-ethyl]phenyl]-2-[(4-oxidanylidenechromen-2-yl)carbonylamino]propanoyl]amino]-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]propanoic acid Openeye Name: 2-[[3-[4-(1,1-difluoro-2-hydroxy-2-oxo-ethyl)phenyl]-2-[(4-oxochromene-2-carbonyl)amino]propanoyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoic acid CAS Name: 2-[[3-[4-(1,1-difluoro-2-hydroxy-2-oxoethyl)phenyl]-1-oxo-2-[[oxo-(4-oxo-1-benzopyran-2-yl)methyl]amino]propyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoic acid IUPAC Name: 2-[[3-[4-(1,1-difluoro-2-hydroxy-2-oxoethyl)phenyl]-2-[(4-oxochromene-2-carbonyl)amino]propanoyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoic acid Traditional Name: 2-[[3-[4-(1,1-difluoro-2-hydroxy-2-keto-ethyl)phenyl]-2-[(4-ketochromene-2-carbonyl)amino]propanoyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propionic acid Formula: C31H25F4N2O11P MolecularWeight: 708.504374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(O2)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)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(O2)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)O

InChI

InChI=1S/C31H25F4N2O11P/c32-30(33,29(43)44)18-9-5-16(6-10-18)13-21(36-27(40)25-15-23(38)20-3-1-2-4-24(20)48-25)26(39)37-22(28(41)42)14-17-7-11-19(12-8-17)31(34,35)49(45,46)47/h1-12,15,21-22H,13-14H2,(H,36,40)(H,37,39)(H,41,42)(H,43,44)(H2,45,46,47)