ethyl (2S)-2-[(2-hydroxy-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoate
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ethyl (2S)-2-[(2-hydroxy-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoate
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CAS No:
72255-22-2
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Formula:
C17H25NO5
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Chemical Name:
ethyl (2S)-2-[(2-hydroxy-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoate
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Synonyms:
alpha-hydroxyisocaproyltyrosine;72255-22-2;alpha-Hydroxyisocaproyltyrosine;DTXSID10993010;DL-Tyrosine, N-(2-hydroxy-4-methyl-1-oxopentyl)-, ethyl ester;N-[1-Ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-hydroxy-4-methylpentanimidic acid
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CAS No:
ethyl (2S)-2-[(2-hydroxy-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoate Basic Attributes
323.4 g/mol
323.17327290 g/mol
Computed Properties
Molecular Weight:323.4
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:323.17327290
Monoisotopic Mass:323.17327290
Topological Polar Surface Area:95.9
Heavy Atom Count:23
Complexity:377
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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