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(3S,4S,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-hydroxy-3-(p-toluenesulfonamido)piperidin-2-one
SpectraBase Compound ID JbmkD9EAOjm
InChI InChI=1S/C29H40N2O7S/c1-19(2)16-23(28(34)38-29(4,5)6)31-17-24(37-18-21-10-8-7-9-11-21)26(32)25(27(31)33)30-39(35,36)22-14-12-20(3)13-15-22/h7-15,19,23-26,30,32H,16-18H2,1-6H3/t23-,24+,25-,26+/m0/s1
InChIKey BBFRBUNIMBWBBL-ROXDYWFKSA-N
Mol Weight 560.7 g/mol
Molecular Formula C29H40N2O7S
Exact Mass 560.255623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uBTUNbkZ77
Name (3S,4S,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-hydroxy-3-(p-toluenesulfonamido)piperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40N2O7S
InChI InChI=1S/C29H40N2O7S/c1-19(2)16-23(28(34)38-29(4,5)6)31-17-24(37-18-21-10-8-7-9-11-21)26(32)25(27(31)33)30-39(35,36)22-14-12-20(3)13-15-22/h7-15,19,23-26,30,32H,16-18H2,1-6H3/t23-,24+,25-,26+/m0/s1
InChIKey BBFRBUNIMBWBBL-ROXDYWFKSA-N
Molecular Weight 560.706 g/mol
SMILES O[C@@]1([C@@](CN(C([C@]1(NS(=O)(=O)c1ccc(cc1)C)[H])=O)[C@@](CC(C)C)(C(=O)OC(C)(C)C)[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-052f-9000200000-bf3ccf40a0fc24b839a6
Source of Spectrum KD-13-998-2
Synonyms tert-Butyl (2S)-2-((3S,4S,5R)-5-(benzyloxy)-4-hydroxy-3-{[(4-methylphenyl)sulfonyl]amino}-2-oxopiperidinyl)-4-methylpentanoate
Wiley ID 1635228