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O-(4-trifluoroacetamidobenzylphosphonyl)chloramphenicol

Go to external page http://purl.obolibrary.org/obo/CHEBI_47691

A C-nitro compound that is a chloramphenicol phosphonate hapten which acts as a transition state analogue for the hydrolysis of chloramphenicol esters mediated by the catalytic antibody 7C8.

Term info

Label

O-(4-trifluoroacetamidobenzylphosphonyl)chloramphenicol

Synonyms
  • (1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl hydrogen {4-[(trifluoroacetyl)amino]benzyl}phosphonate
database cross reference
Subsets

3_STAR

IUPAC NAME
(1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl hydrogen {4-[(trifluoroacetyl)amino]benzyl}phosphonate [ IUPAC ]

charge

0

formula

C20H19Cl2F3N3O8P

has obo namespace

chebi_ontology

id

CHEBI:47691

inchi

InChI=1S/C20H19Cl2F3N3O8P/c21-17(22)18(30)27-15(9-29)16(12-3-7-14(8-4-12)28(32)33)36-37(34,35)10-11-1-5-13(6-2-11)26-19(31)20(23,24)25/h1-8,15-17,29H,9-10H2,(H,26,31)(H,27,30)(H,34,35)/t15-,16-/m1/s1

inchikey

GXXWSSFOFDWOBZ-HZPDHXFCSA-N

mass

588.250

monoisotopicmass

587.02389

smiles

C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)CO)OP(CC2=CC=C(C=C2)NC(C(F)(F)F)=O)(=O)O)C=CC(=C1)[N+]([O-])=O