2-[4-[3-[[1-azanyl-3-[4-[bis(fluoranyl)-phosphono-methyl]phenyl]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-2-[2-(phenylsulfonyl)ethanoylamino]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]-3-oxidanylidene-2-[2-(phenylsulfonyl)ethanoylamino]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-[[2-(benzenesulfonyl)acetyl]amino]-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-[[2-(benzenesulfonyl)-1-oxoethyl]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-[[2-(benzenesulfonyl)acetyl]amino]-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-[(2-besylacetyl)amino]-3-keto-propyl]phenyl]-2,2-difluoro-acetic acid Formula: C29H28F4N3O10PS MolecularWeight: 717.579094

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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)N

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)N

InChI

InChI=1S/C29H28F4N3O10PS/c30-28(31,27(40)41)19-10-6-18(7-11-19)15-23(35-24(37)16-48(45,46)21-4-2-1-3-5-21)26(39)36-22(25(34)38)14-17-8-12-20(13-9-17)29(32,33)47(42,43)44/h1-13,22-23H,14-16H2,(H2,34,38)(H,35,37)(H,36,39)(H,40,41)(H2,42,43,44)