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1H-Pyrrole-3-propanoic acid, 5-[[4,5-dihydro-3-methyl-4-(2-methyl-1,3-dithiolan-2-yl)-5-oxo-1H-pyrrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester

View entire compound with spectra: 2 MS (GC)

1H-Pyrrole-3-propanoic acid, 5-[[4,5-dihydro-3-methyl-4-(2-methyl-1,3-dithiolan-2-yl)-5-oxo-1H-pyrrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
SpectraBase Compound ID AQ54QbGpMU3
InChI InChI=1S/C24H34N2O5S2/c1-13-15(8-9-18(27)30-7)20(22(29)31-23(3,4)5)25-16(13)12-17-14(2)19(21(28)26-17)24(6)32-10-11-33-24/h19,25H,8-12H2,1-7H3,(H,26,28)
InChIKey DXRKQXBLTWPARI-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C24H34N2O5S2
Exact Mass 494.190915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdsjREKDqXV
Name 1H-Pyrrole-3-propanoic acid, 5-[[4,5-dihydro-3-methyl-4-(2-methyl-1,3-dithiolan-2-yl)-5-oxo-1H-pyrrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
CAS Registry Number 71212-50-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34N2O5S2
InChI InChI=1S/C24H34N2O5S2/c1-13-15(8-9-18(27)30-7)20(22(29)31-23(3,4)5)25-16(13)12-17-14(2)19(21(28)26-17)24(6)32-10-11-33-24/h19,25H,8-12H2,1-7H3,(H,26,28)
InChIKey DXRKQXBLTWPARI-UHFFFAOYSA-N
Molecular Weight 494.665 g/mol
SMILES [nH]1c(c(c(c1CC1=C(C(C(N1)=O)C1(SCCS1)C)C)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-001i-0091800000-cf5fad3a069d1506ec9d
Source of Spectrum K-112-2252-0
Synonyms Methyl ester of 5'-tert-butoxycarbonyl-4,5-dihydro-3,3'-dimethyl-4-(2-methyl-1,3-dithiolan-2-yl)-5-oxo-2,2'-dipyrrylmethan-4'-propionic acid tert-Butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-5-{[3-methyl-4-(2-methyl-1,3-dithiolan-2-yl)-5-oxo-4,5-dihydro-1H-pyrrol-2-yl]methyl}-1H-pyrrole-2-carboxylate
Wiley ID 1397849