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3-[N-[3-[3-Benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]-phenylamino]carbamoyl]-butyric acid
SpectraBase Compound ID 9CZMGsrQBDi
InChI InChI=1S/C27H26N2O5/c1-18-10-12-19(13-11-18)16-25(31)29-23-15-14-21(28-24(30)8-5-9-26(32)33)17-22(23)27(34)20-6-3-2-4-7-20/h2-4,6-7,10-15,17H,5,8-9,16H2,1H3,(H,28,30)(H,29,31)(H,32,33)
InChIKey IKECNEVMYWGOCG-UHFFFAOYSA-N
Mol Weight 458.51 g/mol
Molecular Formula C27H26N2O5
Exact Mass 458.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uhjgBeFcIE
Name 3-[N-[3-[3-Benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]-phenylamino]carbamoyl]-butyric acid
Alternate Name(s) 4-[N-[3-Benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]-butyric acid 5-((3-benzoyl-4-(2-(p-tolyl)acetamido)phenyl)amino)-5-oxopentanoic acid 5-[3-benzoyl-4-[[2-(4-methylphenyl)-1-oxoethyl]amino]anilino]-5-oxopentanoic acid 5-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-5-oxopentanoic acid 5-[3-benzoyl-4-[[2-(p-tolyl)acetyl]amino]anilino]-5-oxo-pentanoic acid 5-[[4-[2-(4-methylphenyl)ethanoylamino]-3-(phenylcarbonyl)phenyl]amino]-5-oxidanylidene-pentanoic acid
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Formula C27H26N2O5
InChI InChI=1S/C27H26N2O5/c1-18-10-12-19(13-11-18)16-25(31)29-23-15-14-21(28-24(30)8-5-9-26(32)33)17-22(23)27(34)20-6-3-2-4-7-20/h2-4,6-7,10-15,17H,5,8-9,16H2,1H3,(H,28,30)(H,29,31)(H,32,33)
InChIKey IKECNEVMYWGOCG-UHFFFAOYSA-N
Molecular Weight 458.514 g/mol
SMILES N(c1c(cc(NC(CCCC(=O)O)=O)cc1)C(=O)c1ccccc1)C(=O)Cc1ccc(C)cc1
SPLASH splash10-0bvi-0988700000-0b61a679c02f6d658ed3
Source of Spectrum EMC-35-725-8
Wiley ID 1734609