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Methyl (S)-3-(4'-chlorophenyl)-3-[N-(2'-methoxy-6'-methylphenyl)-N-((S)-N',N'-phthaloyl-tert-leucyl)]amino-2,2-dimethylpropionate

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Methyl (S)-3-(4'-chlorophenyl)-3-[N-(2'-methoxy-6'-methylphenyl)-N-((S)-N',N'-phthaloyl-tert-leucyl)]amino-2,2-dimethylpropionate
SpectraBase Compound ID BePfTvi7AnX
InChI InChI=1S/C34H37ClN2O6/c1-20-12-11-15-25(42-7)26(20)36(27(34(5,6)32(41)43-8)21-16-18-22(35)19-17-21)31(40)28(33(2,3)4)37-29(38)23-13-9-10-14-24(23)30(37)39/h9-19,27-28H,1-8H3/t27-,28+/m0/s1
InChIKey NSSJAFANJFGJPT-WUFINQPMSA-N
Mol Weight 605.1 g/mol
Molecular Formula C34H37ClN2O6
Exact Mass 604.234015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9OfWwQMOKU
Name Methyl (S)-3-(4'-chlorophenyl)-3-[N-(2'-methoxy-6'-methylphenyl)-N-((S)-N',N'-phthaloyl-tert-leucyl)]amino-2,2-dimethylpropionate
Alternate Name(s) Methyl (3S)-3-(4-chlorophenyl)-3-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3,3-dimethylbutanoyl]-2-methoxy-6-methylanilino}-2,2-dimethylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H37ClN2O6
InChI InChI=1S/C34H37ClN2O6/c1-20-12-11-15-25(42-7)26(20)36(27(34(5,6)32(41)43-8)21-16-18-22(35)19-17-21)31(40)28(33(2,3)4)37-29(38)23-13-9-10-14-24(23)30(37)39/h9-19,27-28H,1-8H3/t27-,28+/m0/s1
InChIKey NSSJAFANJFGJPT-WUFINQPMSA-N
Molecular Weight 605.131 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@](C(N([C@](C(C(=O)OC)(C)C)(c1ccc(cc1)Cl)[H])c1c(OC)cccc1C)=O)(C(C)(C)C)[H])=O
SPLASH splash10-014i-0090030000-a1cf16668e8629bc497e
Source of Spectrum QE-6-2040-8
Wiley ID 844762