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N-( p-Toluenesulfonyl)-L-phenylalanine-3,5-ditert-butyl-2-phenolamide
SpectraBase Compound ID 2pCEPYaSw11
InChI InChI=1S/C30H38N2O4S/c1-20-13-15-23(16-14-20)37(35,36)32-26(17-21-11-9-8-10-12-21)28(34)31-25-19-22(29(2,3)4)18-24(27(25)33)30(5,6)7/h8-16,18-19,26,32-33H,17H2,1-7H3,(H,31,34)/t26-/m0/s1
InChIKey WJXRJEXQGHZOMC-SANMLTNESA-N
Mol Weight 522.7 g/mol
Molecular Formula C30H38N2O4S
Exact Mass 522.255229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EAbpPhKIy
Name N-( p-Toluenesulfonyl)-L-phenylalanine-3,5-ditert-butyl-2-phenolamide
Alternate Name(s) (S)-N-(3,5-di-tert-butyl-2-hydroxyphenyl)-2-(4-methylphenylsulfonamido)-3-phenylpropanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38N2O4S
InChI InChI=1S/C30H38N2O4S/c1-20-13-15-23(16-14-20)37(35,36)32-26(17-21-11-9-8-10-12-21)28(34)31-25-19-22(29(2,3)4)18-24(27(25)33)30(5,6)7/h8-16,18-19,26,32-33H,17H2,1-7H3,(H,31,34)/t26-/m0/s1
InChIKey WJXRJEXQGHZOMC-SANMLTNESA-N
Literature Reference DOI 10.1002/hc.10223
Molecular Weight 522.704 g/mol
SMILES N([C@](C(=O)Nc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O)(Cc1ccccc1)[H])S(=O)(c1ccc(cc1)C)=O
SPLASH splash10-00lu-9230000000-dbbe60022d8e3eb4d42b
Source of Spectrum HAC-15-120-11
Wiley ID 1775996