[{2-[{5-[(Bromoacetyl)Amino]-2-Hydroxybenzyl}(Carboxymethyl)Amino]Ethyl}(2-Hydroxy-3,5-Dimethylbenzyl)Amino]Acetic Acid

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Properties Simple | Detailed

Formula C24H30BrN3O7
IUPAC Name 2-[2-[[5-(2-bromoacetyl)azanidyl-2-oxido-benzene-4-id-1-yl]methyl-(carboxylatomethyl)amino]ethyl-[(3,5-dimethyl-2-oxido-phenyl)methyl]amino]acetate
Molecular Mass 552.415 g·mol−1
Heat of Formation 43.3 ± 16.7 kJ·mol−1
Dipole Moment 9.45 ± 1.08 D
Volume 576.89 Å 3
Surface Area 419.11 Å 2
Point Group Symmetry C1
Synonyms
  • 2-[2-[[5-(2-bromoethanoylamino)-2-hydroxy-phenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethyl-phenyl)methyl]amino]ethanoic acid
  • 2-[2-[[5-[(2-bromo-1-oxoethyl)amino]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
  • 2-[2-[[5-[(2-bromoacetyl)amino]-2-hydroxy-benzyl]-(carboxymethyl)amino]ethyl-(2-hydroxy-3,5-dimethyl-benzyl)amino]acetic acid
  • 2-[2-[[5-[(2-bromoacetyl)amino]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
  • brme2hbed
  • n-(2-hydroxy-3,5-dimethylbenzyl)-n-(2-hydroxy-5-bromoacetamidobenzyl)ethylenediamine-n,n'-diacetic acid
CAS Number(s)
  • 126753-16-0
InChIKey TYGKKGMYKKRIJH-UHFFFAOYSA-N
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Elements H C O Br N