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L-Tyrosine, 3,5-dibromo-O-[3-[(6-chloro-3-pyridazinyl)methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-N-(trifluoroacetyl)-, methyl ester

View entire compound with spectra: 1 MS (GC)

L-Tyrosine, 3,5-dibromo-O-[3-[(6-chloro-3-pyridazinyl)methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-N-(trifluoroacetyl)-, methyl ester
SpectraBase Compound ID K7V8PGL4zds
InChI InChI=1S/C27H25Br2ClF3N3O5/c1-26(2,3)17-12-16(11-14(22(17)37)10-15-5-6-21(30)36-35-15)41-23-18(28)7-13(8-19(23)29)9-20(24(38)40-4)34-25(39)27(31,32)33/h5-8,11-12,20,37H,9-10H2,1-4H3,(H,34,39)/t20-/m0/s1
InChIKey FGOYOZWKQOLDCQ-FQEVSTJZSA-N
Mol Weight 723.77 g/mol
Molecular Formula C27H25Br2ClF3N3O5
Exact Mass 720.980159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HnezgQEPkN
Name L-Tyrosine, 3,5-dibromo-O-[3-[(6-chloro-3-pyridazinyl)methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-N-(trifluoroacetyl)-, methyl ester
CAS Registry Number 105211-24-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25Br2ClF3N3O5
InChI InChI=1S/C27H25Br2ClF3N3O5/c1-26(2,3)17-12-16(11-14(22(17)37)10-15-5-6-21(30)36-35-15)41-23-18(28)7-13(8-19(23)29)9-20(24(38)40-4)34-25(39)27(31,32)33/h5-8,11-12,20,37H,9-10H2,1-4H3,(H,34,39)/t20-/m0/s1
InChIKey FGOYOZWKQOLDCQ-FQEVSTJZSA-N
Molecular Weight 723.769 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@](Cc1cc(c(Oc2cc(c(c(c2)C(C)(C)C)O)Cc2nnc(cc2)Cl)c(c1)Br)Br)(C(=O)OC)[H]
SPLASH splash10-052f-9000000100-4783db8c32647951c416
Source of Spectrum KC-1988-3101-14
Synonyms L-3,5-dibromo-3'-[(6-chloropyridazin-3-yl)methyl]-5'-t-butyl-N-trifluorO-acetylthyronine methyl ester Methyl (2S)-3-(3,5-dibromo-4-{3-tert-butyl-5-[(6-chloro-3-pyridazinyl)methyl]-4-hydroxyphenoxy}phenyl)-2-[(trifluoroacetyl)amino]propanoate (2S)-3-[3,5-dibromo-4-[3-tert-butyl-5-[(6-chloro-3-pyridazinyl)methyl]-4-hydroxyphenoxy]phenyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid methyl ester Methyl (2S)-3-[3,5-dibromo-4-[3-tert-butyl-5-[(6-chloropyridazin-3-yl)methyl]-4-hydroxyphenoxy]phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate Methyl (2S)-3-[3,5-dibromo-4-[3-tert-butyl-5-[(6-chloropyridazin-3-yl)methyl]-4-hydroxy-phenoxy]phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate Methyl (2S)-3-[3,5-bis(bromanyl)-4-[3-tert-butyl-5-[(6-chloranylpyridazin-3-yl)methyl]-4-oxidanyl-phenoxy]phenyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate
Wiley ID 1415658