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Methyl (2S)-2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)butanoyl]amio}-3-phenylpropanoate
SpectraBase Compound ID 9jZ6gA9xW8o
InChI InChI=1S/C22H22N2O5/c1-14(24-20(26)16-10-6-7-11-17(16)21(24)27)12-19(25)23-18(22(28)29-2)13-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,23,25)/t14?,18-/m0/s1
InChIKey ZBKSGBHFXJIHDE-IBYPIGCZSA-N
Mol Weight 394.43 g/mol
Molecular Formula C22H22N2O5
Exact Mass 394.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Krz9yyK92
Name Methyl (2S)-2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)butanoyl]amio}-3-phenylpropanoate
Alternate Name(s) (2S)-2-[[3-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester Methyl (2S)-2-[3-(1,3-dioxoisoindol-2-yl)butanoylamino]-3-phenylpropanoate Methyl (2S)-2-[3-(1,3-dioxoisoindolin-2-yl)butanoylamino]-3-phenyl-propanoate Methyl (2S)-2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-phenyl-propanoate
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Formula C22H22N2O5
InChI InChI=1S/C22H22N2O5/c1-14(24-20(26)16-10-6-7-11-17(16)21(24)27)12-19(25)23-18(22(28)29-2)13-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,23,25)/t14?,18-/m0/s1
InChIKey ZBKSGBHFXJIHDE-IBYPIGCZSA-N
Molecular Weight 394.427 g/mol
SMILES N(C(CC(N1C(c2ccccc2C1=O)=O)C)=O)[C@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-0229-0910000000-ca00d94d43d39e879b5d
Source of Spectrum K1-2004-3457-10
Wiley ID 1561292