2-[2-[[5-[(2-bromoacetyl)amino]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
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![2-[2-[[5-[(2-bromoacetyl)amino]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6159cd24c3244af8bc10981cc09860b4.png "2-[2-[[5-[(2-bromoacetyl)amino]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid")
2-[2-[[5-[(2-bromoacetyl)amino]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
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CAS No:
126753-16-0
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Formula:
C24H30BrN3O7
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Chemical Name:
2-[2-[[5-[(2-bromoacetyl)amino]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
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Synonyms:
N-(2-Hydroxy-3,5-dimethylbenzyl)-N-(2-hydroxy-5-bromoacetamidobenzyl)ethylenediamine-N,N'-diacetic acid; Brme2HBED;
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CAS No:
2-[2-[[5-[(2-bromoacetyl)amino]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid Basic Attributes
552.41500
551.12671 g/mol
DTXSID20155288
Computed Properties
Molecular Weight:552.4
XLogP3:-2.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:551.12671
Monoisotopic Mass:551.12671
Topological Polar Surface Area:151
Heavy Atom Count:35
Complexity:713
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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