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Methyl(+/-)-(2R*,3S*,5R*)-3-[[4-(aminocarbonyl)-1H-1,2,3-triazol-1-yl]methyl]-1-(tert-butoxycarbonyl)-5-hydroxymethyl]pyrrolidine-2-carboxylate
SpectraBase Compound ID DAF101FxJWV
InChI InChI=1S/C16H25N5O6/c1-16(2,3)27-15(25)21-10(8-22)5-9(12(21)14(24)26-4)6-20-7-11(13(17)23)18-19-20/h7,9-10,12,22H,5-6,8H2,1-4H3,(H2,17,23)/t9-,10+,12+/m0/s1
InChIKey MXIJLRFHUBFSTE-HOSYDEDBSA-N
Mol Weight 383.41 g/mol
Molecular Formula C16H25N5O6
Exact Mass 383.180484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uWsg1sIZgi
Name Methyl(+/-)-(2R*,3S*,5R*)-3-[[4-(aminocarbonyl)-1H-1,2,3-triazol-1-yl]methyl]-1-(tert-butoxycarbonyl)-5-hydroxymethyl]pyrrolidine-2-carboxylate
Alternate Name(s) 1-(tert-butyl) 2-methyl (2R,3S,5R)-3-((4-carbamoyl-1H-1,2,3-triazol-1-yl)methyl)-5-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
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Formula C16H25N5O6
InChI InChI=1S/C16H25N5O6/c1-16(2,3)27-15(25)21-10(8-22)5-9(12(21)14(24)26-4)6-20-7-11(13(17)23)18-19-20/h7,9-10,12,22H,5-6,8H2,1-4H3,(H2,17,23)/t9-,10+,12+/m0/s1
InChIKey MXIJLRFHUBFSTE-HOSYDEDBSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.05.029
Molecular Weight 383.405 g/mol
SMILES NC(c1nn[n](C[C@]2([C@@](N([C@@](CO)(C2)[H])C(OC(C)(C)C)=O)(C(=O)OC)[H])[H])c1)=O
SPLASH splash10-0lzc-5950000000-a1ce2e429b7edea4745f
Source of Spectrum EMC-98-218-(+/_)_14
Wiley ID 1782893