methyl (2S)-3-(4-hydroxyphenyl)-2-(octadecanoylamino)propanoate
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methyl (2S)-3-(4-hydroxyphenyl)-2-(octadecanoylamino)propanoate
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CAS No:
122445-70-9
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Formula:
C28H47NO4
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Chemical Name:
methyl (2S)-3-(4-hydroxyphenyl)-2-(octadecanoylamino)propanoate
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Synonyms:
N-stearoyltyrosine methyl ester;N-stearoyltyrosine methyl ester, (D,L)-stereoisomer;NSTME;122445-70-9;NSTME;N-Stearoyltyrosine methyl ester;SCHEMBL2337076;DTXSID40924175;methyl (2S)-3-(4-hydroxyphenyl)-2-(octadecanoylamino)propanoate;N-Octadecanoyl-L-tyrosine methyl ester;N-[3-(4-Hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]octadecanimidic acid
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CAS No:
methyl (2S)-3-(4-hydroxyphenyl)-2-(octadecanoylamino)propanoate Basic Attributes
461.7 g/mol
461.35050898 g/mol
Computed Properties
Molecular Weight:461.7
XLogP3:8.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:21
Exact Mass:461.35050898
Monoisotopic Mass:461.35050898
Topological Polar Surface Area:75.6
Heavy Atom Count:33
Complexity:488
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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