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(2S)-2-[2-(2-keto-4-phenyl-chromen-7-yl)oxypropanoylamino]-3-methyl-butyric acid

View entire compound with spectra: 1 MS (GC)

(2S)-2-[2-(2-keto-4-phenyl-chromen-7-yl)oxypropanoylamino]-3-methyl-butyric acid
SpectraBase Compound ID AccowJiComs
InChI InChI=1S/C23H23NO6/c1-13(2)21(23(27)28)24-22(26)14(3)29-16-9-10-17-18(15-7-5-4-6-8-15)12-20(25)30-19(17)11-16/h4-14,21H,1-3H3,(H,24,26)(H,27,28)/t14?,21-/m0/s1
InChIKey DFGVBCRALAMJNR-YNNZGITBSA-N
Mol Weight 409.44 g/mol
Molecular Formula C23H23NO6
Exact Mass 409.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGrdAFS9k1y
Name (2S)-2-[2-(2-keto-4-phenyl-chromen-7-yl)oxypropanoylamino]-3-methyl-butyric acid
Alternate Name(s) (2S)-3-methyl-2-[2-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxypropanoylamino]butanoic acid (2S)-3-methyl-2-[2-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoylamino]butanoic acid (2S)-3-methyl-2-[[1-oxo-2-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]butanoic acid
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Formula C23H23NO6
InChI InChI=1S/C23H23NO6/c1-13(2)21(23(27)28)24-22(26)14(3)29-16-9-10-17-18(15-7-5-4-6-8-15)12-20(25)30-19(17)11-16/h4-14,21H,1-3H3,(H,24,26)(H,27,28)/t14?,21-/m0/s1
InChIKey DFGVBCRALAMJNR-YNNZGITBSA-N
Molecular Weight 409.438 g/mol
SMILES N(C(C(Oc1ccc2c(c1)OC(C=C2c1ccccc1)=O)C)=O)[C@](C(=O)O)(C(C)C)[H]
SPLASH splash10-0cdi-2971800000-ecc9badcf6ac6fcf40b4
Wiley ID 1457776