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Methyl (S)-3-(2,4,6-trimethylphenyl)-3-[N-phenyl-N-((S)-N',N'-phthaloyl-tert-leucyl)]amino-2,2-dimethylpropionate
SpectraBase Compound ID CjXXWt3JbXE
InChI InChI=1S/C35H40N2O5/c1-21-19-22(2)27(23(3)20-21)28(35(7,8)33(41)42-9)36(24-15-11-10-12-16-24)32(40)29(34(4,5)6)37-30(38)25-17-13-14-18-26(25)31(37)39/h10-20,28-29H,1-9H3/t28-,29+/m0/s1
InChIKey ZSHIAZMNKSPVHR-URLMMPGGSA-N
Mol Weight 568.7 g/mol
Molecular Formula C35H40N2O5
Exact Mass 568.293722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iv7UIgM4onW
Name Methyl (S)-3-(2,4,6-trimethylphenyl)-3-[N-phenyl-N-((S)-N',N'-phthaloyl-tert-leucyl)]amino-2,2-dimethylpropionate
Alternate Name(s) Methyl (3S)-3-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3,3-dimethylbutanoyl]anilino}-3-mesityl-2,2-dimethylpropanoate
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Formula C35H40N2O5
InChI InChI=1S/C35H40N2O5/c1-21-19-22(2)27(23(3)20-21)28(35(7,8)33(41)42-9)36(24-15-11-10-12-16-24)32(40)29(34(4,5)6)37-30(38)25-17-13-14-18-26(25)31(37)39/h10-20,28-29H,1-9H3/t28-,29+/m0/s1
InChIKey ZSHIAZMNKSPVHR-URLMMPGGSA-N
Molecular Weight 568.714 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@](C(N([C@](C(C(=O)OC)(C)C)(c1c(cc(cc1C)C)C)[H])c1ccccc1)=O)(C(C)(C)C)[H])=O
SPLASH splash10-014i-0090300000-5e1a13b5114ee94da18e
Source of Spectrum QE-6-2039-8
Wiley ID 844768