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N-( p-Toluenesulfonyl)-L-isoleucine-3,5-di-tertbutyl-2-phenolamide
SpectraBase Compound ID BaA7BgKXyoS
InChI InChI=1S/C27H40N2O4S/c1-10-18(3)23(29-34(32,33)20-13-11-17(2)12-14-20)25(31)28-22-16-19(26(4,5)6)15-21(24(22)30)27(7,8)9/h11-16,18,23,29-30H,10H2,1-9H3,(H,28,31)/t18-,23-/m0/s1
InChIKey CLUIRCHBJIRPPB-MBSDFSHPSA-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 AhKmMsSDZX8
Name N-( p-Toluenesulfonyl)-L-isoleucine-3,5-di-tertbutyl-2-phenolamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40N2O4S
InChI InChI=1S/C27H40N2O4S/c1-10-18(3)23(29-34(32,33)20-13-11-17(2)12-14-20)25(31)28-22-16-19(26(4,5)6)15-21(24(22)30)27(7,8)9/h11-16,18,23,29-30H,10H2,1-9H3,(H,28,31)/t18-,23-/m0/s1
InChIKey CLUIRCHBJIRPPB-MBSDFSHPSA-N
Literature Reference DOI 10.1002/hc.10223
Molecular Weight 488.687 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@](C(=O)Nc1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)([C@](CC)(C)[H])[H]
SPLASH splash10-08fu-6502900000-6989ac1b84d166d501e8
Source of Spectrum HAC-15-120-12
Synonyms (2S,3S)-N-(3,5-di-tert-butyl-2-hydroxyphenyl)-3-methyl-2-(4-methylphenylsulfonamido)pentanamide
Wiley ID 1775997