5-[[1-[[1-azanyl-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-4-[[3,5-bis(bromanyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[1-[[1-azanyl-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-4-[[3,5-bis(bromanyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-[[2-amino-1-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-2-oxo-ethyl]amino]-1-[[4-[difluoro(phosphono)methyl]phenyl]methyl]-2-oxo-ethyl]amino]-4-[(3,5-dibromobenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-[[1-amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-4-[[(3,5-dibromophenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-[[1-amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-4-[(3,5-dibromobenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-[[2-[[2-amino-1-[4-[difluoro(phosphono)methyl]benzyl]-2-keto-ethyl]amino]-1-[4-[difluoro(phosphono)methyl]benzyl]-2-keto-ethyl]amino]-4-[(3,5-dibromobenzoyl)amino]-5-keto-valeric acid Formula: C32H32Br2F4N4O12P2 MolecularWeight: 962.365215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)N)NC(=O)C(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)C(CCC(=O)O)NC(=O)C3=CC(=CC(=C3)Br)Br)C(F)(F)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)N)NC(=O)C(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)C(CCC(=O)O)NC(=O)C3=CC(=CC(=C3)Br)Br)C(F)(F)P(=O)(O)O

InChI

InChI=1S/C32H32Br2F4N4O12P2/c33-21-13-18(14-22(34)15-21)28(46)40-23(9-10-26(43)44)29(47)42-25(12-17-3-7-20(8-4-17)32(37,38)56(52,53)54)30(48)41-24(27(39)45)11-16-1-5-19(6-2-16)31(35,36)55(49,50)51/h1-8,13-15,23-25H,9-12H2,(H2,39,45)(H,40,46)(H,41,48)(H,42,47)(H,43,44)(H2,49,50,51)(H2,52,53,54)