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2-(N-[2-(5-amino-1-tetrazolyl)-1-oxoethyl]anilino)-N-(2,6-dimethylphenyl)-2-methylbutanamide
SpectraBase Compound ID FAeuRCvuxAI
InChI InChI=1S/C22H27N7O2/c1-5-22(4,20(31)24-19-15(2)10-9-11-16(19)3)29(17-12-7-6-8-13-17)18(30)14-28-21(23)25-26-27-28/h6-13H,5,14H2,1-4H3,(H,24,31)(H2,23,25,27)
InChIKey GHAVJPXNVBRSHC-UHFFFAOYSA-N
Mol Weight 421.51 g/mol
Molecular Formula C22H27N7O2
Exact Mass 421.222623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QnBx6ER2JK
Name 2-(N-[2-(5-amino-1-tetrazolyl)-1-oxoethyl]anilino)-N-(2,6-dimethylphenyl)-2-methylbutanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N7O2
InChI InChI=1S/C22H27N7O2/c1-5-22(4,20(31)24-19-15(2)10-9-11-16(19)3)29(17-12-7-6-8-13-17)18(30)14-28-21(23)25-26-27-28/h6-13H,5,14H2,1-4H3,(H,24,31)(H2,23,25,27)
InChIKey GHAVJPXNVBRSHC-UHFFFAOYSA-N
Molecular Weight 421.505 g/mol
SMILES Nc1[n](CC(N(C(C(Nc2c(cccc2C)C)=O)(CC)C)c2ccccc2)=O)nnn1
SPLASH splash10-0002-2911000000-0adfa7b7792bc8e7c744
Synonyms 2-(N-[2-(5-aminotetrazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-methyl-butanamide 2-(N-[2-(5-aminotetrazol-1-yl)acetyl]anilino)-N-(2,6-dimethylphenyl)-2-methyl-butyramide 2-[2-(5-azanyl-1,2,3,4-tetrazol-1-yl)ethanoyl-phenyl-amino]-N-(2,6-dimethylphenyl)-2-methyl-butanamide
Wiley ID 1442201