2-[[3-[4-[1,1-bis(fluoranyl)-2-oxidanyl-2-oxidanylidene-ethyl]phenyl]-2-[2-(phenylsulfonyl)ethanoylamino]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-[2-(phenylsulfonyl)ethanoylamino]propanoyl]amino]-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]propanoic acid Openeye Name: 2-[[2-[[2-(benzenesulfonyl)acetyl]amino]-3-[4-(1,1-difluoro-2-hydroxy-2-oxo-ethyl)phenyl]propanoyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoic acid CAS Name: 2-[[2-[[2-(benzenesulfonyl)-1-oxoethyl]amino]-3-[4-(1,1-difluoro-2-hydroxy-2-oxoethyl)phenyl]-1-oxopropyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoic acid IUPAC Name: 2-[[2-[[2-(benzenesulfonyl)acetyl]amino]-3-[4-(1,1-difluoro-2-hydroxy-2-oxoethyl)phenyl]propanoyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propanoic acid Traditional Name: 2-[[2-[(2-besylacetyl)amino]-3-[4-(1,1-difluoro-2-hydroxy-2-keto-ethyl)phenyl]propanoyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]propionic acid Formula: C29H27F4N2O11PS MolecularWeight: 718.563854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(=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

C1=CC=C(C=C1)S(=O)(=O)CC(=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/C29H27F4N2O11PS/c30-28(31,27(40)41)19-10-6-17(7-11-19)14-22(34-24(36)16-48(45,46)21-4-2-1-3-5-21)25(37)35-23(26(38)39)15-18-8-12-20(13-9-18)29(32,33)47(42,43)44/h1-13,22-23H,14-16H2,(H,34,36)(H,35,37)(H,38,39)(H,40,41)(H2,42,43,44)