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3-[N-[3-[3-Benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenylamino]carbamoyl]-butyric acid methyl ester
SpectraBase Compound ID 2j8YGKfGuBf
InChI InChI=1S/C28H28N2O5/c1-19-11-13-20(14-12-19)17-26(32)30-24-16-15-22(29-25(31)9-6-10-27(33)35-2)18-23(24)28(34)21-7-4-3-5-8-21/h3-5,7-8,11-16,18H,6,9-10,17H2,1-2H3,(H,29,31)(H,30,32)
InChIKey BNVBTWWHBZWMHF-UHFFFAOYSA-N
Mol Weight 472.54 g/mol
Molecular Formula C28H28N2O5
Exact Mass 472.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EObYoTOq1ua
Name 3-[N-[3-[3-Benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenylamino]carbamoyl]-butyric acid methyl ester
Alternate Name(s) 4-[N-[3-Benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]-butyric acid methyl ester Methyl 5-((3-benzoyl-4-(2-(p-tolyl)acetamido)phenyl)amino)-5-oxopentanoate 5-[3-benzoyl-4-[[2-(4-methylphenyl)-1-oxoethyl]amino]anilino]-5-oxopentanoic acid methyl ester Methyl 5-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-5-oxopentanoate Methyl 5-[3-benzoyl-4-[[2-(p-tolyl)acetyl]amino]anilino]-5-oxo-pentanoate Methyl 5-[[4-[2-(4-methylphenyl)ethanoylamino]-3-(phenylcarbonyl)phenyl]amino]-5-oxidanylidene-pentanoate
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Formula C28H28N2O5
InChI InChI=1S/C28H28N2O5/c1-19-11-13-20(14-12-19)17-26(32)30-24-16-15-22(29-25(31)9-6-10-27(33)35-2)18-23(24)28(34)21-7-4-3-5-8-21/h3-5,7-8,11-16,18H,6,9-10,17H2,1-2H3,(H,29,31)(H,30,32)
InChIKey BNVBTWWHBZWMHF-UHFFFAOYSA-N
Molecular Weight 472.541 g/mol
SMILES N(c1c(cc(NC(=O)CCCC(=O)OC)cc1)C(=O)c1ccccc1)C(=O)Cc1ccc(C)cc1
SPLASH splash10-0a4i-9776600000-72e35c1c3eb1f73d541f
Source of Spectrum EMC-35-725-9
Wiley ID 1734608