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Home > Encyclopedia > Benzoic acid, 2-[4-[[(2S)-2-(acetylaMino)-3-[4-(carboxyMethoxy)-3-hydroxyphenyl]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, Methyl ester

Benzoic acid, 2-[4-[[(2S)-2-(acetylaMino)-3-[4-(carboxyMethoxy)-3-hydroxyphenyl]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, Methyl ester

Benzoic acid, 2-[4-[[(2S)-2-(acetylaMino)-3-[4-(carboxyMethoxy)-3-hydroxyphenyl]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, Methyl ester structure

Benzoic acid, 2-[4-[[(2S)-2-(acetylaMino)-3-[4-(carboxyMethoxy)-3-hydroxyphenyl]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, Methyl ester 

structure
  • CAS No:

    918657-87-1

  • Formula:

    C25H30N2O10

  • Chemical Name:

    Benzoic acid, 2-[4-[[(2S)-2-(acetylaMino)-3-[4-(carboxyMethoxy)-3-hydroxyphenyl]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, Methyl ester

  • Synonyms:

    phosphotyrosyl mimetic 20;CHEMBL560812;BDBM13987;2-[4-[2-(Acetylamino)-3-[3-hydroxy-4-(2-oxo-2-hydroxyethoxy)phenyl]propionylamino]butoxy]-6-hydroxybenzoic acid methyl ester;2-{4-[2-acetamido-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}carbamoyl)ethyl]-2-hydroxyphenoxy}acetic acid;Benzoic acid, 2-[4-[[(2S)-2-(acetylamino)-3-[4-(carboxymethoxy)-3-hydroxyphenyl]-1-oxopropyl]amino]butoxy]-6-hydroxy-, methyl ester

Benzoic acid, 2-[4-[[(2S)-2-(acetylaMino)-3-[4-(carboxyMethoxy)-3-hydroxyphenyl]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, Methyl ester Basic Attributes

518.5131

518.19

Characteristics

181

2.5

Computed Properties

Molecular Weight:518.5
XLogP3:2.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:15
Exact Mass:518.19004516
Monoisotopic Mass:518.19004516
Topological Polar Surface Area:181
Heavy Atom Count:37
Complexity:764
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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