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3-[N-[3-Benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]-propionic acid
SpectraBase Compound ID 2qIF2FMnI8k
InChI InChI=1S/C26H24N2O5/c1-17-7-9-18(10-8-17)15-24(30)28-22-12-11-20(27-23(29)13-14-25(31)32)16-21(22)26(33)19-5-3-2-4-6-19/h2-12,16H,13-15H2,1H3,(H,27,29)(H,28,30)(H,31,32)
InChIKey OKHJPXHSOCAQPX-UHFFFAOYSA-N
Mol Weight 444.49 g/mol
Molecular Formula C26H24N2O5
Exact Mass 444.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hx5Zt5PKjCu
Name 3-[N-[3-Benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]-propionic acid
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Formula C26H24N2O5
InChI InChI=1S/C26H24N2O5/c1-17-7-9-18(10-8-17)15-24(30)28-22-12-11-20(27-23(29)13-14-25(31)32)16-21(22)26(33)19-5-3-2-4-6-19/h2-12,16H,13-15H2,1H3,(H,27,29)(H,28,30)(H,31,32)
InChIKey OKHJPXHSOCAQPX-UHFFFAOYSA-N
Molecular Weight 444.487 g/mol
SMILES N(c1c(cc(NC(CCC(=O)O)=O)cc1)C(=O)c1ccccc1)C(=O)Cc1ccc(C)cc1
SPLASH splash10-052f-0694000000-0f2073bfd597f6a8be39
Source of Spectrum EMC-35-725-6
Synonyms 3-[N-[3-[3-Benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]-phenylamino]carbamoyl]-propionic acid 4-((3-benzoyl-4-(2-(p-tolyl)acetamido)phenyl)amino)-4-oxobutanoic acid 4-[3-benzoyl-4-[[2-(4-methylphenyl)-1-oxoethyl]amino]anilino]-4-oxobutanoic acid 4-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]anilino]-4-oxobutanoic acid 4-[3-benzoyl-4-[[2-(p-tolyl)acetyl]amino]anilino]-4-oxo-butanoic acid 4-[[4-[2-(4-methylphenyl)ethanoylamino]-3-(phenylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoic acid
Wiley ID 1734610