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

View entire compound with spectra: 1 MS (GC)

(3R,4R,5R)-3-Azido-5-benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-(o-nitrobenzenesulfonamido)piperidin-2-one
SpectraBase Compound ID H0sui50BK8b
InChI InChI=1S/C28H36N6O8S/c1-18(2)15-21(27(36)42-28(3,4)5)33-16-22(41-17-19-11-7-6-8-12-19)24(25(26(33)35)30-32-29)31-43(39,40)23-14-10-9-13-20(23)34(37)38/h6-14,18,21-22,24-25,31H,15-17H2,1-5H3/t21-,22+,24-,25+/m0/s1
InChIKey ZRSIGPVXXOTCAW-TVYALGDOSA-N
Mol Weight 616.7 g/mol
Molecular Formula C28H36N6O8S
Exact Mass 616.231533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kIcRmJ9lD9
Name (3R,4R,5R)-3-Azido-5-benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-(o-nitrobenzenesulfonamido)piperidin-2-one
Alternate Name(s) tert-Butyl (2S)-2-((3R,4R,5R)-3-azido-5-(benzyloxy)-4-{[(2-nitrophenyl)sulfonyl]amino}-2-oxopiperidinyl)-4-methylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N6O8S
InChI InChI=1S/C28H36N6O8S/c1-18(2)15-21(27(36)42-28(3,4)5)33-16-22(41-17-19-11-7-6-8-12-19)24(25(26(33)35)30-32-29)31-43(39,40)23-14-10-9-13-20(23)34(37)38/h6-14,18,21-22,24-25,31H,15-17H2,1-5H3/t21-,22+,24-,25+/m0/s1
InChIKey ZRSIGPVXXOTCAW-TVYALGDOSA-N
Molecular Weight 616.690 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])(N=[N+]=[N-])[H])[H])S(c1c(N(=O)=O)cccc1)(=O)=O
SPLASH splash10-0006-9020000000-231225606bc5ee7c420b
Source of Spectrum KD-13-1001-8
Wiley ID 1635216