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(3R,4R,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-(o-nitrobenzenesulfonamido)-3-piperidinopiperidin-2-one

View entire compound with spectra: 1 MS (GC)

(3R,4R,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-(o-nitrobenzenesulfonamido)-3-piperidinopiperidin-2-one
SpectraBase Compound ID GCkZoJHVSly
InChI InChI=1S/C33H46N4O8S/c1-23(2)20-26(32(39)45-33(3,4)5)36-21-27(44-22-24-14-8-6-9-15-24)29(30(31(36)38)35-18-12-7-13-19-35)34-46(42,43)28-17-11-10-16-25(28)37(40)41/h6,8-11,14-17,23,26-27,29-30,34H,7,12-13,18-22H2,1-5H3/t26-,27+,29-,30+/m0/s1
InChIKey UWCQARRUIIVEMT-GCRMGGTCSA-N
Mol Weight 658.8 g/mol
Molecular Formula C33H46N4O8S
Exact Mass 658.303636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zCHmoejmBU
Name (3R,4R,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-(o-nitrobenzenesulfonamido)-3-piperidinopiperidin-2-one
Alternate Name(s) tert-Butyl (2S)-2-[(3R,4R,5R)-5-(benzyloxy)-4-[(2-nitrobenzene)sulfonamido]-2-oxo-3-(piperidin-1-yl)piperidin-1-yl]-4-methylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H46N4O8S
InChI InChI=1S/C33H46N4O8S/c1-23(2)20-26(32(39)45-33(3,4)5)36-21-27(44-22-24-14-8-6-9-15-24)29(30(31(36)38)35-18-12-7-13-19-35)34-46(42,43)28-17-11-10-16-25(28)37(40)41/h6,8-11,14-17,23,26-27,29-30,34H,7,12-13,18-22H2,1-5H3/t26-,27+,29-,30+/m0/s1
InChIKey UWCQARRUIIVEMT-GCRMGGTCSA-N
Molecular Weight 658.811 g/mol
SMILES N([C@@]1([C@](C(=O)N(C[C@]1(OCc1ccccc1)[H])[C@](C(OC(C)(C)C)=O)(CC(C)C)[H])(N1CCCCC1)[H])[H])S(c1c(N(=O)=O)cccc1)(=O)=O
SPLASH splash10-003r-9400000000-c559183a30ef14bdc092
Source of Spectrum KD-13-1002-11
Wiley ID 1635213