2-[4-[3-[[1-azanyl-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-2-(2H-benzotriazol-5-ylcarbonylamino)-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-(2H-benzotriazol-5-ylcarbonylamino)-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-(2H-benzotriazole-5-carbonylamino)-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-[[2H-benzotriazol-5-yl(oxo)methyl]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-(2H-benzotriazole-5-carbonylamino)-3-oxopropyl]phenyl]-2,2-difluoroacetic acid Traditional Name: 2-[4-[3-[[2-amino-1-[4-[difluoro(phosphono)methyl]benzyl]-2-keto-ethyl]amino]-2-(2H-benzotriazole-5-carbonylamino)-3-keto-propyl]phenyl]-2,2-difluoro-acetic acid Formula: C28H25F4N6O8P MolecularWeight: 680.500874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)C(=O)N)NC(=O)C3=CC4=NNN=C4C=C3)C(C(=O)O)(F)F

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)C(=O)N)NC(=O)C3=CC4=NNN=C4C=C3)C(C(=O)O)(F)F

InChI

InChI=1S/C28H25F4N6O8P/c29-27(30,26(42)43)17-6-1-15(2-7-17)12-22(35-24(40)16-5-10-19-20(13-16)37-38-36-19)25(41)34-21(23(33)39)11-14-3-8-18(9-4-14)28(31,32)47(44,45)46/h1-10,13,21-22H,11-12H2,(H2,33,39)(H,34,41)(H,35,40)(H,42,43)(H,36,37,38)(H2,44,45,46)