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N-Phthaloyl-(S)-phenylalanyl-(R,S)-aspartic acid dimethyl ester
SpectraBase Compound ID 8DcQmo67S1H
InChI InChI=1S/C23H22N2O7/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/h3-11,17-18H,12-13H2,1-2H3,(H,24,27)/t17?,18-/m0/s1
InChIKey UAWPWAAIKOHMBD-ZVAWYAOSSA-N
Mol Weight 438.44 g/mol
Molecular Formula C23H22N2O7
Exact Mass 438.142701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9S6M4fkcSuY
Name N-Phthaloyl-(S)-phenylalanyl-(R,S)-aspartic acid dimethyl ester
Alternate Name(s) N-Phthaloyl-(S)-phenylalanyl-(R,S)-aspartic acid dimethyl ester diastereomer Dimethyl 2-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]amino}succinate
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Formula C23H22N2O7
InChI InChI=1S/C23H22N2O7/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/h3-11,17-18H,12-13H2,1-2H3,(H,24,27)/t17?,18-/m0/s1
InChIKey UAWPWAAIKOHMBD-ZVAWYAOSSA-N
Molecular Weight 438.436 g/mol
SMILES N(C([C@@](N1C(c2ccccc2C1=O)=O)(Cc1ccccc1)[H])=O)C(CC(=O)OC)C(=O)OC
SPLASH splash10-0f89-0490000000-112c621369b7a65be8e8
Source of Spectrum F-53-5614-5
Wiley ID 801631