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1H-Pyrrole-3-propanoic acid, 5-[carboxy[3-(1-methoxyethyl)-4-methyl-5-oxo-2-pyrrolidinylidene]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, .alpha.-methyl ester, [3.alpha.(S*),4.beta.]-(.+-.)-
SpectraBase Compound ID IiYfVxyQo4R
InChI InChI=1S/C24H34N2O8/c1-11-14(9-10-15(27)33-8)19(23(31)34-24(4,5)6)25-18(11)17(22(29)30)20-16(13(3)32-7)12(2)21(28)26-20/h12-13,16,25H,9-10H2,1-8H3,(H,26,28)(H,29,30)/b20-17+/t12-,13-,16+/m0/s1
InChIKey LCRWTOKMSPFHSV-CVYAQPGMSA-N
Mol Weight 478.5 g/mol
Molecular Formula C24H34N2O8
Exact Mass 478.231516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WDnVpoGp6i
Name 1H-Pyrrole-3-propanoic acid, 5-[carboxy[3-(1-methoxyethyl)-4-methyl-5-oxo-2-pyrrolidinylidene]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, .alpha.-methyl ester, [3.alpha.(S*),4.beta.]-(.+-.)-
CAS Registry Number 77286-25-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34N2O8
InChI InChI=1S/C24H34N2O8/c1-11-14(9-10-15(27)33-8)19(23(31)34-24(4,5)6)25-18(11)17(22(29)30)20-16(13(3)32-7)12(2)21(28)26-20/h12-13,16,25H,9-10H2,1-8H3,(H,26,28)(H,29,30)/b20-17+/t12-,13-,16+/m0/s1
InChIKey LCRWTOKMSPFHSV-CVYAQPGMSA-N
Molecular Weight 478.542 g/mol
SMILES N1C([C@]([C@@](\C1=C\(C(=O)O)c1[nH]c(c(c1C)CCC(=O)OC)C(OC(C)(C)C)=O)([C@@](OC)(C)[H])[H])(C)[H])=O
SPLASH splash10-0bvm-8009500000-d3e082cb5596763fde3a
Source of Spectrum K-114-142-0
Synonyms (2E)-[5-(tert-butoxycarbonyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]{(3S,4S)-3-[(1S)-1-methoxyethyl]-4-methyl-5-oxopyrrolidinylidene}ethanoic acid (3RS,3'SR,4RS)-5'-t-butoxycarbonyl-3,4-dihydro-4'-[2-(methoxycarbonyl)ethyl]-3-(1-methoxyethyl)-3',4-dimethyl-5-oxo-2,2'-pyrromethene-meso-carboxylic acid
Wiley ID 1394703