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2-((S)-2-Acetamido-3-(4-hydroxyphenyl)propaneamido)-6-((tert-butoxycarbonyl)amino)-hexanoic acid methyl ester
SpectraBase Compound ID LDa0sXDnBOZ
InChI InChI=1S/C23H35N3O7/c1-15(27)25-19(14-16-9-11-17(28)12-10-16)20(29)26-18(21(30)32-5)8-6-7-13-24-22(31)33-23(2,3)4/h9-12,18-19,28H,6-8,13-14H2,1-5H3,(H,24,31)(H,25,27)(H,26,29)/t18?,19-/m0/s1
InChIKey QULDPOBITMJBLU-GGYWPGCISA-N
Mol Weight 465.5 g/mol
Molecular Formula C23H35N3O7
Exact Mass 465.2475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36RiwARdUO
Name 2-((S)-2-Acetamido-3-(4-hydroxyphenyl)propaneamido)-6-((tert-butoxycarbonyl)amino)-hexanoic acid methyl ester
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Formula C23H35N3O7
InChI InChI=1S/C23H35N3O7/c1-15(27)25-19(14-16-9-11-17(28)12-10-16)20(29)26-18(21(30)32-5)8-6-7-13-24-22(31)33-23(2,3)4/h9-12,18-19,28H,6-8,13-14H2,1-5H3,(H,24,31)(H,25,27)(H,26,29)/t18?,19-/m0/s1
InChIKey QULDPOBITMJBLU-GGYWPGCISA-N
Literature Reference DOI 10.1016/j.tet.2016.04.084
Molecular Weight 465.547 g/mol
SMILES N(C(=O)OC(C)(C)C)CCCCC(C(=O)OC)NC([C@](Cc1ccc(cc1)O)(NC(C)=O)[H])=O
SPLASH splash10-053i-2913000000-df383d7991aec0456aad
Source of Spectrum Stefanie K. Fehler, et al. Tetrahedron, 10.1016/j.tet.2016.04.084
Synonyms Methyl N2-(acetyl-L-tyrosyl)-N6-(tert-butoxycarbonyl)lysinate
Wiley ID 1816038