Pbab-edta

2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl]propyl]-(carboxymethyl)amino]acetic acid

Also Known As: Pbab-edta|Fe-BABE|BABE cpd|FeBABE|Acetic acid BABE|BABE|1-(4-Bromoacetamidobenzyl)edta|1-(para-Bromoacetamidobenzyl)edta|(S)-1-(4-bromoacetamidobenzyl)EDTA|(S)-1-(p-Bromoacetamidobenzyl)ethylenediaminetetraacetic Acid|N-4-(2,3-Bis(bis(carboxymethyl)amino)propyl)phenyl bromoacetamide|iron 1-(4-(bromoacetamido)benzyl)-EDTA|(S)-1-(p-Bromoacetamidobenzyl)ethylenediaminetetraacetic Acid (~80%)|iron (S)-1-(p-(bromoacetamido)benzyl)-EDTA|2-[[(2S)-2-[bis(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl]propyl]-(carboxymethyl)amino]acetic acid|2,2',2'',2'''-{[(2S)-3-{4-[(bromoacetyl)amino]phenyl}propane-1,2-diyl]dinitrilo}tetraacetic acid|(s)-1-(p-bromoacetamido-benzyl)ethylene diamine tetraacetic acid|(S)-1-[4-(1-Oxo-2-bromoethylamino)benzyl]ethylenebisnitrilotetraacetic acid|(S)-1-[4-(BROMOACETAMIDO)BENZYL]ETHYLENEDIAMINETETRACETIC ACID|[[(S)-1-[4-[(Bromoacetyl)amino]benzyl]ethylene]dinitrilo]tetraacetic acid|[[(1S)-1-[4-[(Bromoacetyl)amino]benzyl]-1,2-ethanediyl]bis(nitrilo)]tetraacetic acid|(2S)-N,N,N ,N -Tetrakis(carboxymethyl)-3-[4-[(bromoacetyl)amino]phenyl]-1,2-propanediamine|2,2',2'',2'''-({(2S)-3-[4-(2-Bromoacetamido)phenyl]propane-1,2-diyl}dinitrilo)tetraacetic acid|2,2',2'',2'''-({3-[4-(2-Bromoacetamido)phenyl]propane-1,2-diyl}dinitrilo)tetraacetic acid|2-[[(2S)-1-[bis(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl] propan-2-yl]-(carboxymethyl)amino]acetic acid|2-{[(2S)-1-[bis(carboxymethyl)amino]-3-[4-(2-bromoacetamido)phenyl]propan-2-yl](carboxymethyl)amino}acetic acid|Glycine, N,N'-(1-((4-((bromoacetyl)amino)phenyl)methyl)-1,2-ethanediyl)bis(N-(carboxymethyl))-, (S)-|Glycine, N,N'-(1-((4-((bromoacetyl)amino)phenyl)methyl)-1,2-ethanediyl)bis(N-(carboxymethyl)-, (S)-|N,N'-((1S)-1-((4-((2-Bromoacetyl)amino)phenyl)methyl)-1,2-ethanediyl)bis(N-(carboxymethyl)glycine)|N,N'-[(1S)-1-[[4-[(Bromoacetyl)amino]phenyl]methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)-glycine

Molecular Formula	C19H24BrN3O9
Molecular Weight	517.0696 g/mol
LogP	-3.9
Topological Polar Surface Area	185.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	15
Exact Mass	517.0696
Monoisotopic Mass	517.0696
Heavy Atoms	32
Complexity	651.0

Chemical Identifiers

CAS Number	86375-28-2
SMILES	C1=CC(=CC=C1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=O)CBr
InChIKey	VOQPQBGCWBEYEV-AWEZNQCLSA-N