4-[2-[[2-(3-aminopropanoylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino]phenyl]-2-iminobutanoic acid
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![4-[2-[[2-(3-aminopropanoylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino]phenyl]-2-iminobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d2d5c17901da4ff9ab66dfa6eacb1975.png "4-[2-[[2-(3-aminopropanoylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino]phenyl]-2-iminobutanoic acid")
4-[2-[[2-(3-aminopropanoylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino]phenyl]-2-iminobutanoic acid
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CAS No:
68335-21-7
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Formula:
C21H26N4O6
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Chemical Name:
4-[2-[[2-(3-aminopropanoylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino]phenyl]-2-iminobutanoic acid
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Synonyms:
N(ar)-(alpha-(3-aminopropionylaminomethyl)-3,4-dihydroxybenzyl)-L-kynurenine;papiliochrome II;Papiliochrome II;68335-21-7;(2z)-4-(2-{[2-(|A-alanylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino}phenyl)-2-iminobutanoic acid;DTXSID10987873;DTXSID60276729;4-[2-[[2-(3-aminopropanoylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino]phenyl]-2-iminobutanoic acid;N(ar)-(alpha-(3-Aminopropionylaminomethyl)-3,4-dihydroxybenzyl)-L-kynurenine;4-[2-({2-[(3-Amino-1-hydroxypropylidene)amino]-1-(3,4,5-trihydroxyphenyl)ethyl}amino)phenyl]-2-iminobutanoic acid;Benzenebutanoic acid, alpha-amino-2-((2-((3-amino-1-oxopropyl)amino)-1-(3,4-dihydroxyphenyl)ethyl)amino)-gamma-oxo-, stereoisomer
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CAS No:
4-[2-[[2-(3-aminopropanoylamino)-1-(3,4,5-trihydroxyphenyl)ethyl]amino]phenyl]-2-iminobutanoic acid Basic Attributes
430.5 g/mol
430.18523456 g/mol
Computed Properties
Molecular Weight:430.5
XLogP3:-1.9
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:430.18523456
Monoisotopic Mass:430.18523456
Topological Polar Surface Area:189
Heavy Atom Count:31
Complexity:607
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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