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Methyl 2,2-dimethyl-(S)-3-phenyl-3-[N-phenyl-N-((S)-N',N'-phthaloylvalyl)]aminopropionate
SpectraBase Compound ID H5flRGCIqxY
InChI InChI=1S/C31H32N2O5/c1-20(2)25(33-27(34)23-18-12-13-19-24(23)28(33)35)29(36)32(22-16-10-7-11-17-22)26(21-14-8-6-9-15-21)31(3,4)30(37)38-5/h6-20,25-26H,1-5H3/t25-,26-/m0/s1
InChIKey VFPYGQFFIPHGJA-UIOOFZCWSA-N
Mol Weight 512.6 g/mol
Molecular Formula C31H32N2O5
Exact Mass 512.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZH3WyeT3gC
Name Methyl 2,2-dimethyl-(S)-3-phenyl-3-[N-phenyl-N-((S)-N',N'-phthaloylvalyl)]aminopropionate
Alternate Name(s) Methyl (3S)-3-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]anilino}-2,2-dimethyl-3-phenylpropanoate
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Formula C31H32N2O5
InChI InChI=1S/C31H32N2O5/c1-20(2)25(33-27(34)23-18-12-13-19-24(23)28(33)35)29(36)32(22-16-10-7-11-17-22)26(21-14-8-6-9-15-21)31(3,4)30(37)38-5/h6-20,25-26H,1-5H3/t25-,26-/m0/s1
InChIKey VFPYGQFFIPHGJA-UIOOFZCWSA-N
Molecular Weight 512.606 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@](C(N([C@](C(C(=O)OC)(C)C)(c1ccccc1)[H])c1ccccc1)=O)(C(C)C)[H])=O
SPLASH splash10-0udi-0090200000-8209c7f9702cc266da3e
Source of Spectrum QE-6-2038-4
Wiley ID 844772