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4-(benzyl{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}amino)-4-oxobutanoic acid
SpectraBase Compound ID Kad35RVcjbO
InChI InChI=1S/C21H26N2O5/c1-4-28-21(27)20-14(2)17(15(3)22-20)13-23(18(24)10-11-19(25)26)12-16-8-6-5-7-9-16/h5-9,22H,4,10-13H2,1-3H3,(H,25,26)
InChIKey AMHWCRNRRHKURC-UHFFFAOYSA-N
Mol Weight 386.45 g/mol
Molecular Formula C21H26N2O5
Exact Mass 386.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mXYLi4YHig
Name 4-(benzyl{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}amino)-4-oxobutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O5
InChI InChI=1S/C21H26N2O5/c1-4-28-21(27)20-14(2)17(15(3)22-20)13-23(18(24)10-11-19(25)26)12-16-8-6-5-7-9-16/h5-9,22H,4,10-13H2,1-3H3,(H,25,26)
InChIKey AMHWCRNRRHKURC-UHFFFAOYSA-N
Molecular Weight 386.448 g/mol
SMILES OC(CCC(N(Cc1c(c(C(=O)OCC)[nH]c1C)C)Cc1ccccc1)=O)=O
SPLASH splash10-001i-6910000000-1aa847b225693a12d20c
Synonyms 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(phenylmethyl)amino]-4-oxobutanoic acid 4-[benzyl-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-4-keto-butyric acid 4-[benzyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-4-oxobutanoic acid
Wiley ID 1442551