Benzoic acid, 2-[4-[[(2S)-2-(acetylaMino)-3-[4-(carboxyMethoxy)-3-hydroxyphenyl]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, Methyl ester
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Benzoic acid, 2-[4-[[(2S)-2-(acetylaMino)-3-[4-(carboxyMethoxy)-3-hydroxyphenyl]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, Methyl ester
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CAS No:
918657-87-1
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Formula:
C25H30N2O10
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Chemical Name:
Benzoic acid, 2-[4-[[(2S)-2-(acetylaMino)-3-[4-(carboxyMethoxy)-3-hydroxyphenyl]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, Methyl ester
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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
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CAS No:
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
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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