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(2S)-2-[N-(2-Bromo-4,5-methylenedioxyphenyl)methyl]-N-(tertbutyloxycarbonyl)-aminopent-4-enoic Acid [(2S)-tert-Butyldimethylsilyloxymethyl-pyrrolidinyl]amide

View entire compound with spectra: 1 MS (GC)

(2S)-2-[N-(2-Bromo-4,5-methylenedioxyphenyl)methyl]-N-(tertbutyloxycarbonyl)-aminopent-4-enoic Acid [(2S)-tert-Butyldimethylsilyloxymethyl-pyrrolidinyl]amide
SpectraBase Compound ID FxVTgaSHM5I
InChI InChI=1S/C29H45BrN2O6Si/c1-10-12-23(26(33)31-14-11-13-21(31)18-37-39(8,9)29(5,6)7)32(27(34)38-28(2,3)4)17-20-15-24-25(16-22(20)30)36-19-35-24/h10,15-16,21,23H,1,11-14,17-19H2,2-9H3/t21-,23-/m0/s1
InChIKey ITPRRWLFHYSGGM-GMAHTHKFSA-N
Mol Weight 625.7 g/mol
Molecular Formula C29H45BrN2O6Si
Exact Mass 624.223027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XML7x9yrN
Name (2S)-2-[N-(2-Bromo-4,5-methylenedioxyphenyl)methyl]-N-(tertbutyloxycarbonyl)-aminopent-4-enoic Acid [(2S)-tert-Butyldimethylsilyloxymethyl-pyrrolidinyl]amide
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Formula C29H45BrN2O6Si
InChI InChI=1S/C29H45BrN2O6Si/c1-10-12-23(26(33)31-14-11-13-21(31)18-37-39(8,9)29(5,6)7)32(27(34)38-28(2,3)4)17-20-15-24-25(16-22(20)30)36-19-35-24/h10,15-16,21,23H,1,11-14,17-19H2,2-9H3/t21-,23-/m0/s1
InChIKey ITPRRWLFHYSGGM-GMAHTHKFSA-N
Literature Reference DOI 10.1002/adsc.200404102
Molecular Weight 625.676 g/mol
SMILES C1N([C@](CO[Si](C(C)(C)C)(C)C)(CC1)[H])C([C@](CC=C)(N(C(=O)OC(C)(C)C)Cc1cc2c(cc1Br)OCO2)[H])=O
SPLASH splash10-03dj-1090022000-58fab3eb5f7a7e23f2ef
Source of Spectrum ASC-346-1346-epi_18b
Synonyms tert-Butyl ((6-bromobenzo[d][1,3]dioxol-5-yl)methyl)((S)-1-((S)-2-(((tert-butyldimethylsilyl)oxy)methyl)pyrrolidin-1-yl)-1-oxopent-4-en-2-yl)carbamate
Wiley ID 1767498