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

*Links on SpectraBase are not permalinks.
(3S,4R,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-3-(9-flurenylmethoxycarbonylamino)-4-methylsulfoxypiperidin-2-one
SpectraBase Compound ID KFwFixKZ9QM
InChI InChI=1S/C38H46N2O9S/c1-24(2)20-31(36(42)48-38(3,4)5)40-21-32(46-22-25-14-8-7-9-15-25)34(49-50(6,44)45)33(35(40)41)39-37(43)47-23-30-28-18-12-10-16-26(28)27-17-11-13-19-29(27)30/h7-19,24,30-34H,20-23H2,1-6H3,(H,39,43)/t31-,32+,33-,34-/m0/s1
InChIKey SHCNVJOQRFVTER-HWFRFQLBSA-N
Mol Weight 706.9 g/mol
Molecular Formula C38H46N2O9S
Exact Mass 706.292402 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 GLk3YgPfSOX
Name (3S,4R,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-3-(9-flurenylmethoxycarbonylamino)-4-methylsulfoxypiperidin-2-one
Alternate Name(s) (3S,4S,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-3-(9-flurenylmethoxycarbonylamino)-4-methylsulfoxypiperidin-2-one tert-Butyl (2S)-2-{(3S,4R,5R)-5-(benzyloxy)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[(methylsulfonyl)oxy]-2-oxopiperidinyl}-4-methylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H46N2O9S
InChI InChI=1S/C38H46N2O9S/c1-24(2)20-31(36(42)48-38(3,4)5)40-21-32(46-22-25-14-8-7-9-15-25)34(49-50(6,44)45)33(35(40)41)39-37(43)47-23-30-28-18-12-10-16-26(28)27-17-11-13-19-29(27)30/h7-19,24,30-34H,20-23H2,1-6H3,(H,39,43)/t31-,32+,33-,34-/m0/s1
InChIKey SHCNVJOQRFVTER-HWFRFQLBSA-N
Molecular Weight 706.851 g/mol
SMILES N([C@@]1(C(N([C@](C(OC(C)(C)C)=O)(CC(C)C)[H])C[C@@](OCc2ccccc2)([C@@]1(OS(=O)(=O)C)[H])[H])=O)[H])C(OCC1c2c(cccc2)-c2c1cccc2)=O
SPLASH splash10-002f-9801000000-9e4fe8f2ffdbadcfdcb0
Source of Spectrum KD-13-999-4
Wiley ID 1635226