2-[[3-[4-[1,1-bis(fluoranyl)-2-oxidanyl-2-oxidanylidene-ethyl]phenyl]-2-[(1-methylpyrrol-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-[(1-methylpyrrol-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-[(1-methylpyrrole-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]-2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoic acid IUPAC Name: 2-[[3-[4-(1,1-difluoro-2-hydroxy-2-oxoethyl)phenyl]-2-[(1-methylpyrrole-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-[(1-methylpyrrole-2-carbonyl)amino]propanoyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propionic acid Formula: C27H26F4N3O9P MolecularWeight: 643.477414

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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)O

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)O

InChI

InChI=1S/C27H26F4N3O9P/c1-34-12-2-3-21(34)23(36)32-19(13-15-4-8-17(9-5-15)26(28,29)25(39)40)22(35)33-20(24(37)38)14-16-6-10-18(11-7-16)27(30,31)44(41,42)43/h2-12,19-20H,13-14H2,1H3,(H,32,36)(H,33,35)(H,37,38)(H,39,40)(H2,41,42,43)