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

View entire compound with spectra: 1 MS (GC)

(3R,4R,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-3-benzylamino-4-(o-nitrobenzenesulfonamido)piperidin-2-one
SpectraBase Compound ID 37lyegzfA7g
InChI InChI=1S/C35H44N4O8S/c1-24(2)20-28(34(41)47-35(3,4)5)38-22-29(46-23-26-16-10-7-11-17-26)31(32(33(38)40)36-21-25-14-8-6-9-15-25)37-48(44,45)30-19-13-12-18-27(30)39(42)43/h6-19,24,28-29,31-32,36-37H,20-23H2,1-5H3/t28-,29+,31-,32+/m0/s1
InChIKey DBNKUGHZFVRCDS-XIMCBQERSA-N
Mol Weight 680.8 g/mol
Molecular Formula C35H44N4O8S
Exact Mass 680.287986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZNw76ob9K0
Name (3R,4R,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-3-benzylamino-4-(o-nitrobenzenesulfonamido)piperidin-2-one
Alternate Name(s) tert-Butyl (2S)-2-((3R,4R,5R)-3-(benzylamino)-5-(benzyloxy)-4-{[(2-nitrophenyl)sulfonyl]amino}-2-oxopiperidinyl)-4-methylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H44N4O8S
InChI InChI=1S/C35H44N4O8S/c1-24(2)20-28(34(41)47-35(3,4)5)38-22-29(46-23-26-16-10-7-11-17-26)31(32(33(38)40)36-21-25-14-8-6-9-15-25)37-48(44,45)30-19-13-12-18-27(30)39(42)43/h6-19,24,28-29,31-32,36-37H,20-23H2,1-5H3/t28-,29+,31-,32+/m0/s1
InChIKey DBNKUGHZFVRCDS-XIMCBQERSA-N
Molecular Weight 680.817 g/mol
SMILES N([C@]1([C@@](CN(C([C@@]1(NCc1ccccc1)[H])=O)[C@@](CC(C)C)(C(=O)OC(C)(C)C)[H])(OCc1ccccc1)[H])[H])S(=O)(=O)c1c(cccc1)N(=O)=O
SPLASH splash10-0006-9102000000-576f6caefad232ca3d93
Source of Spectrum KD-13-1002-10
Wiley ID 1635214