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2-Amino-3-cyano-3-(ethoxycarbonyl)-1(N)-{[N-(butoxycarbonyl)-N-[(benzoyl)methyl]amino}-4-methylpyrrole
SpectraBase Compound ID 7oJ0Ibpqaot
InChI InChI=1S/C22H26N4O5/c1-6-30-20(28)18-14(2)26(19(24)16(18)12-23)25(21(29)31-22(3,4)5)13-17(27)15-10-8-7-9-11-15/h7-11H,6,13,24H2,1-5H3
InChIKey PWGIZOJUFJDQLH-UHFFFAOYSA-N
Mol Weight 426.47 g/mol
Molecular Formula C22H26N4O5
Exact Mass 426.19032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlqSfm4JLcR
Name 2-Amino-3-cyano-3-(ethoxycarbonyl)-1(N)-{[N-(butoxycarbonyl)-N-[(benzoyl)methyl]amino}-4-methylpyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N4O5
InChI InChI=1S/C22H26N4O5/c1-6-30-20(28)18-14(2)26(19(24)16(18)12-23)25(21(29)31-22(3,4)5)13-17(27)15-10-8-7-9-11-15/h7-11H,6,13,24H2,1-5H3
InChIKey PWGIZOJUFJDQLH-UHFFFAOYSA-N
Molecular Weight 426.473 g/mol
SMILES Nc1[n](N(C(OC(C)(C)C)=O)CC(=O)c2ccccc2)c(c(c1C#N)C(=O)OCC)C
SPLASH splash10-0ir3-0907000000-2b89a9960c137d853b03
Source of Spectrum D1-2006-1737-13
Synonyms 5-Amino-4-cyano-2-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenacylamino]-3-pyrrolecarboxylic acid ethyl ester Ethyl 5-amino-4-cyano-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl-phenacylamino]pyrrole-3-carboxylate Ethyl 5-amino-1-[tert-butoxycarbonyl(phenacyl)amino]-4-cyano-2-methyl-pyrrole-3-carboxylate Ethyl 5-azanyl-4-cyano-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl-phenacyl-amino]pyrrole-3-carboxylate
Wiley ID 1614102