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

View entire compound with spectra: 1 MS (GC)

(3R,4S,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-3-methylthio-4-(o-nitrobenzenesulfonamido)piperidin-2-one
SpectraBase Compound ID 8rsniKBUPZD
InChI InChI=1S/C29H39N3O8S2/c1-19(2)16-22(28(34)40-29(3,4)5)31-17-23(39-18-20-12-8-7-9-13-20)25(26(41-6)27(31)33)30-42(37,38)24-15-11-10-14-21(24)32(35)36/h7-15,19,22-23,25-26,30H,16-18H2,1-6H3/t22-,23+,25-,26+/m0/s1
InChIKey MUJOJJHYJZFWIP-ALNDXVPUSA-N
Mol Weight 621.8 g/mol
Molecular Formula C29H39N3O8S2
Exact Mass 621.217858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 599n1dPNxt5
Name (3R,4S,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-3-methylthio-4-(o-nitrobenzenesulfonamido)piperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H39N3O8S2
InChI InChI=1S/C29H39N3O8S2/c1-19(2)16-22(28(34)40-29(3,4)5)31-17-23(39-18-20-12-8-7-9-13-20)25(26(41-6)27(31)33)30-42(37,38)24-15-11-10-14-21(24)32(35)36/h7-15,19,22-23,25-26,30H,16-18H2,1-6H3/t22-,23+,25-,26+/m0/s1
InChIKey MUJOJJHYJZFWIP-ALNDXVPUSA-N
Molecular Weight 621.764 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])(SC)[H])[H])S(c1c(N(=O)=O)cccc1)(=O)=O
SPLASH splash10-0006-9012000000-1f3b2f2340f93c6082a4
Source of Spectrum KD-13-1001-7
Synonyms tert-Butyl (2S)-2-((3R,4S,5R)-5-(benzyloxy)-3-(methylsulfanyl)-4-{[(2-nitrophenyl)sulfonyl]amino}-2-oxopiperidinyl)-4-methylpentanoate
Wiley ID 1635217