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(S)-1-(4-bromoacetamidobenzyl)EDTA

Go to external page http://purl.obolibrary.org/obo/CHEBI_59055

A tetracarboxylic acid consisting of ethylenediaminetetraacetic acid having a 4-bromoacetamidobenzyl group at the C1-position and (S)-configuration.

Term info

Label

(S)-1-(4-bromoacetamidobenzyl)EDTA

Synonyms
  • 2,2',2'',2'''-{[(2S)-3-{4-[(bromoacetyl)amino]phenyl}propane-1,2-diyl]dinitrilo}tetraacetic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2,2',2'',2'''-{[(2S)-3-{4-[(bromoacetyl)amino]phenyl}propane-1,2-diyl]dinitrilo}tetraacetic acid [ IUPAC ]

charge

0

formula

C19H24BrN3O9

has obo namespace

chebi_ontology

has related synonym

2-[[(2S)-1-[bis(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl] propan-2-yl]-(carboxymethyl)amino]acetic acid, Fe-BABE, 1-(para-Bromoacetamidobenzyl)edta, N-4-(2,3-Bis(bis(carboxymethyl)amino)propyl)phenyl bromoacetamide

id

CHEBI:59055

inchi

InChI=1S/C19H24BrN3O9/c20-6-15(24)21-13-3-1-12(2-4-13)5-14(23(10-18(29)30)11-19(31)32)7-22(8-16(25)26)9-17(27)28/h1-4,14H,5-11H2,(H,21,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)/t14-/m0/s1

inchikey

VOQPQBGCWBEYEV-AWEZNQCLSA-N

mass

518.31300

monoisotopicmass

517.06959

smiles

OC(=O)CN(C[C@H](Cc1ccc(NC(=O)CBr)cc1)N(CC(O)=O)CC(O)=O)CC(O)=O

Term relations