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Methyl(+/-)-(2R*,3S*,5R*)-3-[[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]methyl]-1-(tert-butoxycarbonyl)-5-(hydroxymethyl)pyrrolidine-2-carboxylate

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Methyl(+/-)-(2R*,3S*,5R*)-3-[[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]methyl]-1-(tert-butoxycarbonyl)-5-(hydroxymethyl)pyrrolidine-2-carboxylate
SpectraBase Compound ID BOjtgvLebgh
InChI InChI=1S/C21H29N5O5/c1-21(2,3)31-20(29)26-16(12-27)9-14(18(26)19(28)30-4)10-25-11-17(23-24-25)13-6-5-7-15(22)8-13/h5-8,11,14,16,18,27H,9-10,12,22H2,1-4H3/t14-,16+,18+/m0/s1
InChIKey UXMKENTYJCBDSW-YXJHDRRASA-N
Mol Weight 431.49 g/mol
Molecular Formula C21H29N5O5
Exact Mass 431.216869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3p6D7AFCdE
Name Methyl(+/-)-(2R*,3S*,5R*)-3-[[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]methyl]-1-(tert-butoxycarbonyl)-5-(hydroxymethyl)pyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29N5O5
InChI InChI=1S/C21H29N5O5/c1-21(2,3)31-20(29)26-16(12-27)9-14(18(26)19(28)30-4)10-25-11-17(23-24-25)13-6-5-7-15(22)8-13/h5-8,11,14,16,18,27H,9-10,12,22H2,1-4H3/t14-,16+,18+/m0/s1
InChIKey UXMKENTYJCBDSW-YXJHDRRASA-N
Literature Reference DOI 10.1016/j.ejmech.2015.05.029
Molecular Weight 431.493 g/mol
SMILES Nc1cc(-c2nn[n](C[C@]3([C@@](N([C@@](CO)(C3)[H])C(OC(C)(C)C)=O)(C(=O)OC)[H])[H])c2)ccc1
SPLASH splash10-08gm-3920100000-3d3b3f4f7898fa78f4c8
Source of Spectrum EMC-98-217-(+/_)_7
Synonyms 1-(tert-butyl) 2-methyl (2R,3S,5R)-3-((4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl)methyl)-5-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
Wiley ID 1782900