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N(alpha), N-(im)-Di-Boc-L-histidine methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N(alpha), N-(im)-Di-Boc-L-histidine methyl ester
SpectraBase Compound ID KwQGcb9R6vd
InChI InChI=1S/C17H27N3O6/c1-16(2,3)25-14(22)19-12(13(21)24-7)8-11-9-20(10-18-11)15(23)26-17(4,5)6/h9-10,12H,8H2,1-7H3,(H,19,22)/t12-/m0/s1
InChIKey ZYCZFTGHOVFXLZ-LBPRGKRZSA-N
Mol Weight 369.42 g/mol
Molecular Formula C17H27N3O6
Exact Mass 369.189986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZKIQyKBiJD
Name 4-[(2S)-2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-propyl]imidazole-1-carboxylic acid tert-butyl ester
Alternate Name(s) 4-[(2S)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]-1-imidazolecarboxylic acid tert-butyl ester tert-Butyl 4-[(2S)-2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]imidazole-1-carboxylate tert-Butyl 4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]imidazole-1-carboxylate tert-Butyl 4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
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Formula C17H27N3O6
InChI InChI=1S/C17H27N3O6/c1-16(2,3)25-14(22)19-12(13(21)24-7)8-11-9-20(10-18-11)15(23)26-17(4,5)6/h9-10,12H,8H2,1-7H3,(H,19,22)/t12-/m0/s1
InChIKey ZYCZFTGHOVFXLZ-LBPRGKRZSA-N
Molecular Weight 369.418 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](Cc1c[n](C(OC(C)(C)C)=O)cn1)(C(=O)OC)[H]
SPLASH splash10-0a4i-9321000000-343953a5283b6d93c04c
Source of Spectrum J-60-6299-4
Wiley ID 1353562