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N-Phthaloyl-(S)-phenylalanyl-.alpha.,.beta.-didehydroaspartic acid dimethyl ester
SpectraBase Compound ID GtYUMQ5bw4C
InChI InChI=1S/C23H20N2O7/c1-31-19(26)13-17(23(30)32-2)24-20(27)18(12-14-8-4-3-5-9-14)25-21(28)15-10-6-7-11-16(15)22(25)29/h3-11,13,18H,12H2,1-2H3,(H,24,27)/b17-13-/t18-/m0/s1
InChIKey ZSQPXJRGCWDFLF-FDWYHIAWSA-N
Mol Weight 436.42 g/mol
Molecular Formula C23H20N2O7
Exact Mass 436.127051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzQk8AieyWG
Name N-Phthaloyl-(S)-phenylalanyl-.alpha.,.beta.-didehydroaspartic acid dimethyl ester
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Formula C23H20N2O7
InChI InChI=1S/C23H20N2O7/c1-31-19(26)13-17(23(30)32-2)24-20(27)18(12-14-8-4-3-5-9-14)25-21(28)15-10-6-7-11-16(15)22(25)29/h3-11,13,18H,12H2,1-2H3,(H,24,27)/b17-13-/t18-/m0/s1
InChIKey ZSQPXJRGCWDFLF-FDWYHIAWSA-N
Molecular Weight 436.420 g/mol
SMILES N(\C(=C/C(=O)OC)C(=O)OC)C([C@@](N1C(c2ccccc2C1=O)=O)(Cc1ccccc1)[H])=O
SPLASH splash10-0udj-0090000000-e2603c755ca834e3df75
Source of Spectrum F-53-5614-10
Synonyms Dimethyl (2Z)-2-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]amino}-2-butenedioate
Wiley ID 801630