For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3S,4S,5R)-5-Benzyloxy-3-benzyloxycarbonylamino-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-methylsulfoxypiperidin-2-one
SpectraBase Compound ID 8edxJEaAmj8
InChI InChI=1S/C31H42N2O9S/c1-21(2)17-24(29(35)41-31(3,4)5)33-18-25(39-19-22-13-9-7-10-14-22)27(42-43(6,37)38)26(28(33)34)32-30(36)40-20-23-15-11-8-12-16-23/h7-16,21,24-27H,17-20H2,1-6H3,(H,32,36)/t24-,25+,26-,27+/m0/s1
InChIKey KOPZBAGMGDMTNS-YYGZZXRFSA-N
Mol Weight 618.7 g/mol
Molecular Formula C31H42N2O9S
Exact Mass 618.261102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LskZ8VELlvU
Name (3S,4S,5R)-5-Benzyloxy-3-benzyloxycarbonylamino-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-methylsulfoxypiperidin-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H42N2O9S
InChI InChI=1S/C31H42N2O9S/c1-21(2)17-24(29(35)41-31(3,4)5)33-18-25(39-19-22-13-9-7-10-14-22)27(42-43(6,37)38)26(28(33)34)32-30(36)40-20-23-15-11-8-12-16-23/h7-16,21,24-27H,17-20H2,1-6H3,(H,32,36)/t24-,25+,26-,27+/m0/s1
InChIKey KOPZBAGMGDMTNS-YYGZZXRFSA-N
Molecular Weight 618.742 g/mol
SMILES N([C@@]1(C(N([C@](C(OC(C)(C)C)=O)(CC(C)C)[H])C[C@]([C@]1(OS(=O)(=O)C)[H])(OCc1ccccc1)[H])=O)[H])C(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-cdbc9ccdc73238b52cbd
Source of Spectrum KD-13-999-4
Synonyms tert-Butyl (2S)-2-{(3S,4S,5R)-5-(benzyloxy)-3-{[(benzyloxy)carbonyl]amino}-4-[(methylsulfonyl)oxy]-2-oxopiperidinyl}-4-methylpentanoate
Wiley ID 1635225