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

View entire compound with spectra: 1 MS (GC)

(3S,4R,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-3,4-[N-(o-nitrobenzenesullfonyl)aziridino]piperidin-2-one
SpectraBase Compound ID G5tnZOo1OxB
InChI InChI=1S/C28H35N3O8S/c1-18(2)15-21(27(33)39-28(3,4)5)29-16-22(38-17-19-11-7-6-8-12-19)24-25(26(29)32)30(24)40(36,37)23-14-10-9-13-20(23)31(34)35/h6-14,18,21-22,24-25H,15-17H2,1-5H3/t21-,22+,24-,25-,30?/m0/s1
InChIKey CTHYXYBKQNPMQM-IDEGNRPKSA-N
Mol Weight 573.7 g/mol
Molecular Formula C28H35N3O8S
Exact Mass 573.214486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AeLyHZ08Kxd
Name (3S,4R,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-3,4-[N-(o-nitrobenzenesullfonyl)aziridino]piperidin-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35N3O8S
InChI InChI=1S/C28H35N3O8S/c1-18(2)15-21(27(33)39-28(3,4)5)29-16-22(38-17-19-11-7-6-8-12-19)24-25(26(29)32)30(24)40(36,37)23-14-10-9-13-20(23)31(34)35/h6-14,18,21-22,24-25H,15-17H2,1-5H3/t21-,22+,24-,25-,30?/m0/s1
InChIKey CTHYXYBKQNPMQM-IDEGNRPKSA-N
Molecular Weight 573.661 g/mol
SMILES c1(S(N2[C@@]3(C(N([C@](C(OC(C)(C)C)=O)(CC(C)C)[H])C[C@]([C@]23[H])(OCc2ccccc2)[H])=O)[H])(=O)=O)c(N(=O)=O)cccc1
SPLASH splash10-052f-9000100000-e4b4705c1d2e7bcb8752
Source of Spectrum KD-13-1000-1
Wiley ID 1635219