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1H-Pyrrole-3-propanoic acid, 5-[[5-[(1,1-dimethylethoxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methyl]-2,5-dihydro-4-methyl-2-oxo-, (.+-.)-
SpectraBase Compound ID FSWftDsswsG
InChI InChI=1S/C23H32N2O7/c1-12-14(8-10-19(28)31-6)20(22(30)32-23(3,4)5)24-16(12)11-17-13(2)15(21(29)25-17)7-9-18(26)27/h17,24H,7-11H2,1-6H3,(H,25,29)(H,26,27)
InChIKey YFXJLIPLJGDPTG-UHFFFAOYSA-N
Mol Weight 448.5 g/mol
Molecular Formula C23H32N2O7
Exact Mass 448.220951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77u0PO6Id2M
Name 1H-Pyrrole-3-propanoic acid, 5-[[5-[(1,1-dimethylethoxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methyl]-2,5-dihydro-4-methyl-2-oxo-, (.+-.)-
CAS Registry Number 66385-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32N2O7
InChI InChI=1S/C23H32N2O7/c1-12-14(8-10-19(28)31-6)20(22(30)32-23(3,4)5)24-16(12)11-17-13(2)15(21(29)25-17)7-9-18(26)27/h17,24H,7-11H2,1-6H3,(H,25,29)(H,26,27)
InChIKey YFXJLIPLJGDPTG-UHFFFAOYSA-N
Molecular Weight 448.516 g/mol
SMILES [nH]1c(c(c(c1CC1C(=C(CCC(=O)O)C(N1)=O)C)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-0089-0980000000-c2d76608dcfb0c709705
Source of Spectrum K-111-496-0
Synonyms 3-(5-{[5-(tert-butoxycarbonyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methyl}-4-methyl-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)propanoic acid 4'-Methyl ester of 5'-tert-butoxycarbonyl-2,5-dihydro-3,3'-dimethyl-5-oxo-2,2'-dipyrrylmethan-4,4'-dipropionic acid
Wiley ID 1387125