(3R,4R,5R)-5-Benzyloxy-3-methyl-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-(p-toluenesulfonamido)piperidin-2-one

SpectraBase Compound ID	2GLdFh3frbJ
InChI	InChI=1S/C30H42N2O6S/c1-20(2)17-25(29(34)38-30(5,6)7)32-18-26(37-19-23-11-9-8-10-12-23)27(22(4)28(32)33)31-39(35,36)24-15-13-21(3)14-16-24/h8-16,20,22,25-27,31H,17-19H2,1-7H3/t22-,25+,26-,27-/m1/s1
InChIKey	JPDIEBLYMSLBBI-WWUMMRACSA-N Google Search
Mol Weight	558.7 g/mol
Molecular Formula	C30H42N2O6S
Exact Mass	558.276358 g/mol

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SpectraBase Spectrum ID	BDj9pfLKQMz
Name	(3R,4R,5R)-5-Benzyloxy-3-methyl-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-(p-toluenesulfonamido)piperidin-2-one
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	558.276358248 u
Formula	C30H42N2O6S
InChI	InChI=1S/C30H42N2O6S/c1-20(2)17-25(29(34)38-30(5,6)7)32-18-26(37-19-23-11-9-8-10-12-23)27(22(4)28(32)33)31-39(35,36)24-15-13-21(3)14-16-24/h8-16,20,22,25-27,31H,17-19H2,1-7H3/t22-,25+,26-,27-/m1/s1
InChIKey	JPDIEBLYMSLBBI-WWUMMRACSA-N
Molecular Weight	558.734 g/mol
SMILES	C1(N(C[C@]([C@@]([C@]1(C)[H])(NS(=O)(=O)C=1C=CC(=CC1)C)[H])(OCC=1C=CC=CC1)[H])[C@@](CC(C)C)(C(=O)OC(C)(C)C)[H])=O