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Methyl 2,2-dimethyl-(S)-3-[N-phenyl-N-((S)-tert-leucyl)]amino-3-(2',4',6'-trimethylphenyl)propionate
SpectraBase Compound ID 1fIVKLBU93N
InChI InChI=1S/C27H38N2O3/c1-17-15-18(2)21(19(3)16-17)23(27(7,8)25(31)32-9)29(20-13-11-10-12-14-20)24(30)22(28)26(4,5)6/h10-16,22-23H,28H2,1-9H3/t22-,23+/m1/s1
InChIKey LNJGWOHXBMBAGH-PKTZIBPZSA-N
Mol Weight 438.6 g/mol
Molecular Formula C27H38N2O3
Exact Mass 438.288243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVTEhB5KhHa
Name Methyl 2,2-dimethyl-(S)-3-[N-phenyl-N-((S)-tert-leucyl)]amino-3-(2',4',6'-trimethylphenyl)propionate
Alternate Name(s) Methyl (3S)-3-{[(2S)-2-amino-3,3-dimethylbutanoyl]anilino}-3-mesityl-2,2-dimethylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38N2O3
InChI InChI=1S/C27H38N2O3/c1-17-15-18(2)21(19(3)16-17)23(27(7,8)25(31)32-9)29(20-13-11-10-12-14-20)24(30)22(28)26(4,5)6/h10-16,22-23H,28H2,1-9H3/t22-,23+/m1/s1
InChIKey LNJGWOHXBMBAGH-PKTZIBPZSA-N
Molecular Weight 438.612 g/mol
SMILES N[C@](C(N([C@](C(C(=O)OC)(C)C)(c1c(cc(cc1C)C)C)[H])c1ccccc1)=O)(C(C)(C)C)[H]
SPLASH splash10-000i-9000000000-a765006296ff0e35a9a2
Source of Spectrum QE-6-2042-18
Wiley ID 844751