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(2S,4R)-(+-)-1-(Benzyloxycarbonyl)-2-[2-(3-bromo-5-(methoxycarbonyl)-1H-pyrrol-2-yl]-2-oxoethyl]1,2,5,6-tetrahydro-5-hydroxypyridine

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(2S,4R)-(+-)-1-(Benzyloxycarbonyl)-2-[2-(3-bromo-5-(methoxycarbonyl)-1H-pyrrol-2-yl]-2-oxoethyl]1,2,5,6-tetrahydro-5-hydroxypyridine
SpectraBase Compound ID 1pW0ZIhnouK
InChI InChI=1S/C21H21BrN2O6/c1-29-20(27)17-10-16(22)19(23-17)18(26)9-14-7-8-15(25)11-24(14)21(28)30-12-13-5-3-2-4-6-13/h2-8,10,14-15,23,25H,9,11-12H2,1H3/t14-,15-/m1/s1
InChIKey IHPMVVICXUMLAJ-HUUCEWRRSA-N
Mol Weight 477.31 g/mol
Molecular Formula C21H21BrN2O6
Exact Mass 476.058299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dMEyBHDxPg
Name (2S,4R)-(+-)-1-(Benzyloxycarbonyl)-2-[2-(3-bromo-5-(methoxycarbonyl)-1H-pyrrol-2-yl]-2-oxoethyl]1,2,5,6-tetrahydro-5-hydroxypyridine
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Formula C21H21BrN2O6
InChI InChI=1S/C21H21BrN2O6/c1-29-20(27)17-10-16(22)19(23-17)18(26)9-14-7-8-15(25)11-24(14)21(28)30-12-13-5-3-2-4-6-13/h2-8,10,14-15,23,25H,9,11-12H2,1H3/t14-,15-/m1/s1
InChIKey IHPMVVICXUMLAJ-HUUCEWRRSA-N
Molecular Weight 477.311 g/mol
SMILES [nH]1c(cc(c1C(C[C@]1(C=C[C@](CN1C(OCc1ccccc1)=O)(O)[H])[H])=O)Br)C(=O)OC
SPLASH splash10-0006-9110000000-d998cf6b1e6ec644db3b
Source of Spectrum E1-44-73-16
Synonyms benzyl (3R,6S)-6-{2-[3-bromo-5-(methoxycarbonyl)-1H-pyrrol-2-yl]-2-oxoethyl}-3-hydroxy-3,6-dihydro-1(2H)-pyridinecarboxylate cis-(+-)-1-(Benzyloxycarbonyl)-2-[2-(3-bromo-5-(methoxycarbonyl)-1H-pyrrol-2-yl]-2-oxoethyl]1,2,5,6-tetrahydro-5-hydroxypyridine
Wiley ID 1553211