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3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]propanoic acid
SpectraBase Compound ID GgpKTOzh7Xm
InChI InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,34-35H,1-2,9-15H2,3-6H3,(H,38,39)(H,40,41)
InChIKey LZWPNFISCVRERT-UHFFFAOYSA-N
Mol Weight 584.7 g/mol
Molecular Formula C33H36N4O6
Exact Mass 584.263485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iugVSWGuSw
Name 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl]propanoic acid
CAS Registry Number 635-65-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36N4O6
InChI InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,34-35H,1-2,9-15H2,3-6H3,(H,38,39)(H,40,41)
InChIKey LZWPNFISCVRERT-UHFFFAOYSA-N
Molecular Weight 584.673 g/mol
SMILES [nH]1c(Cc2c(CCC(=O)O)c(C)c([nH]2)CC2=NC(=O)C(=C2C=C)C)c(c(C)c1CC1=NC(=O)C(=C1C)C=C)CCC(=O)O
SPLASH splash10-000j-4490010000-ba0c7a70e83d21a4b81b
Synonyms 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-2-pyrrolyl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxo-2-pyrrolyl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid 3-[2-[[3-(2-carboxyethyl)-5-[(5-keto-4-methyl-3-vinyl-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(5-keto-3-methyl-4-vinyl-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid
Wiley ID 1497532