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Methyl(+/-)-(2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-5-hydroxymethyl-3-[(4-methoxycarbonyl)-1H-1,2,3-triazol-1-yl]methyl]pyrrolidine-2-carboxylate
SpectraBase Compound ID 7ycimqtZ5km
InChI InChI=1S/C17H26N4O7/c1-17(2,3)28-16(25)21-11(9-22)6-10(13(21)15(24)27-5)7-20-8-12(18-19-20)14(23)26-4/h8,10-11,13,22H,6-7,9H2,1-5H3/t10-,11+,13+/m0/s1
InChIKey IOYIDINBYYIYGS-DMDPSCGWSA-N
Mol Weight 398.42 g/mol
Molecular Formula C17H26N4O7
Exact Mass 398.180149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BPFpu3kuat
Name Methyl(+/-)-(2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-5-hydroxymethyl-3-[(4-methoxycarbonyl)-1H-1,2,3-triazol-1-yl]methyl]pyrrolidine-2-carboxylate
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Formula C17H26N4O7
InChI InChI=1S/C17H26N4O7/c1-17(2,3)28-16(25)21-11(9-22)6-10(13(21)15(24)27-5)7-20-8-12(18-19-20)14(23)26-4/h8,10-11,13,22H,6-7,9H2,1-5H3/t10-,11+,13+/m0/s1
InChIKey IOYIDINBYYIYGS-DMDPSCGWSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.05.029
Molecular Weight 398.416 g/mol
SMILES OC[C@@]1(N(C(OC(C)(C)C)=O)[C@]([C@](C[n]2nnc(c2)C(=O)OC)(C1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-0abj-9300000000-1eb2ed2453e0cd8cdaeb
Source of Spectrum EMC-98-218-(+/_)_10
Synonyms 1-(tert-butyl) 2-methyl (2R,3S,5R)-5-(hydroxymethyl)-3-((4-(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)methyl)pyrrolidine-1,2-dicarboxylate
Wiley ID 1782892