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N-( p-Toluenesulfonyl)-L-leucine-3,5-di-tertbutyl-2-phenolamide
SpectraBase Compound ID EHRSRdWLQLi
InChI InChI=1S/C27H40N2O4S/c1-17(2)14-23(29-34(32,33)20-12-10-18(3)11-13-20)25(31)28-22-16-19(26(4,5)6)15-21(24(22)30)27(7,8)9/h10-13,15-17,23,29-30H,14H2,1-9H3,(H,28,31)/t23-/m0/s1
InChIKey CMIHMGGGJVTBBZ-QHCPKHFHSA-N
Mol Weight 488.7 g/mol
Molecular Formula C27H40N2O4S
Exact Mass 488.270879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kpejvRCI94
Name N-( p-Toluenesulfonyl)-L-leucine-3,5-di-tertbutyl-2-phenolamide
Alternate Name(s) (S)-N-(3,5-di-tert-butyl-2-hydroxyphenyl)-4-methyl-2-(4-methylphenylsulfonamido)pentanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40N2O4S
InChI InChI=1S/C27H40N2O4S/c1-17(2)14-23(29-34(32,33)20-12-10-18(3)11-13-20)25(31)28-22-16-19(26(4,5)6)15-21(24(22)30)27(7,8)9/h10-13,15-17,23,29-30H,14H2,1-9H3,(H,28,31)/t23-/m0/s1
InChIKey CMIHMGGGJVTBBZ-QHCPKHFHSA-N
Literature Reference DOI 10.1002/hc.10223
Molecular Weight 488.687 g/mol
SMILES N([C@](C(=O)Nc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O)(CC(C)C)[H])S(=O)(c1ccc(cc1)C)=O
SPLASH splash10-0006-9041100000-f631749ea0ae68232d71
Source of Spectrum HAC-15-119-10
Wiley ID 1775995