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Pentanoic acid, 5-hydroxy-4-methyl-3-[[(4-methylphenyl)sulfonyl](phenylmethyl)amino]-, 1,1-dimethylethyl ester, (R*,R*)-(.+-.)-
SpectraBase Compound ID AUzBYQfVXjc
InChI InChI=1S/C24H33NO5S/c1-18-11-13-21(14-12-18)31(28,29)25(16-20-9-7-6-8-10-20)22(19(2)17-26)15-23(27)30-24(3,4)5/h6-14,19,22,26H,15-17H2,1-5H3/t19-,22+/m0/s1
InChIKey JCYFLYJGXXQRAL-SIKLNZKXSA-N
Mol Weight 447.6 g/mol
Molecular Formula C24H33NO5S
Exact Mass 447.207944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51ZPArfXvJV
Name Pentanoic acid, 5-hydroxy-4-methyl-3-[[(4-methylphenyl)sulfonyl](phenylmethyl)amino]-, 1,1-dimethylethyl ester, (R*,R*)-(.+-.)-
CAS Registry Number 131544-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33NO5S
InChI InChI=1S/C24H33NO5S/c1-18-11-13-21(14-12-18)31(28,29)25(16-20-9-7-6-8-10-20)22(19(2)17-26)15-23(27)30-24(3,4)5/h6-14,19,22,26H,15-17H2,1-5H3/t19-,22+/m0/s1
InChIKey JCYFLYJGXXQRAL-SIKLNZKXSA-N
Molecular Weight 447.590 g/mol
SMILES OC[C@@]([C@](N(S(c1ccc(cc1)C)(=O)=O)Cc1ccccc1)(CC(OC(C)(C)C)=O)[H])(C)[H]
SPLASH splash10-001d-6089000000-7babb61aa3e20ab87147
Source of Spectrum J-56-1036-26
Synonyms Anti-t-butyl 5-hydroxy-4-methyl-3-(benzyltosyl-mino) pentanoate tert-Butyl (3R,4R)-3-{benzyl[(4-methylphenyl)sulfonyl]amino}-5-hydroxy-4-methylpentanoate
Wiley ID 1386919