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1-[2,2a,4,5,5a,6-Hexahydro-5-(4,4'-dimethoxytrityl)-3H-4-oxothieno[3,4-d]imidazol-2-yl]-5-(2-nitroimidazol-1-yl)pentane
SpectraBase Compound ID IdLT6smYREQ
InChI InChI=1S/C34H37N5O5S/c1-43-27-16-12-25(13-17-27)34(24-9-5-3-6-10-24,26-14-18-28(44-2)19-15-26)38-29-23-45-30(31(29)36-33(38)40)11-7-4-8-21-37-22-20-35-32(37)39(41)42/h3,5-6,9-10,12-20,22,29-31H,4,7-8,11,21,23H2,1-2H3,(H,36,40)/t29-,30-,31-/m0/s1
InChIKey LUBRQINGONQRJN-CHQNGUEUSA-N
Mol Weight 627.8 g/mol
Molecular Formula C34H37N5O5S
Exact Mass 627.25154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DInl7rB0EIH
Name 1-[2,2a,4,5,5a,6-Hexahydro-5-(4,4'-dimethoxytrityl)-3H-4-oxothieno[3,4-d]imidazol-2-yl]-5-(2-nitroimidazol-1-yl)pentane
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Formula C34H37N5O5S
InChI InChI=1S/C34H37N5O5S/c1-43-27-16-12-25(13-17-27)34(24-9-5-3-6-10-24,26-14-18-28(44-2)19-15-26)38-29-23-45-30(31(29)36-33(38)40)11-7-4-8-21-37-22-20-35-32(37)39(41)42/h3,5-6,9-10,12-20,22,29-31H,4,7-8,11,21,23H2,1-2H3,(H,36,40)/t29-,30-,31-/m0/s1
InChIKey LUBRQINGONQRJN-CHQNGUEUSA-N
Molecular Weight 627.760 g/mol
SMILES N1[C@]2([C@@](N(C1=O)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1)(CS[C@]2(CCCCC[n]1c(N(=O)=O)ncc1)[H])[H])[H]
SPLASH splash10-0fb9-0007019000-f201c4f8e1d97667f7a5
Source of Spectrum E1-37-4355-8
Synonyms (3aR,6S,6aS)-3-[bis(4-methoxyphenyl)-phenylmethyl]-6-[5-(2-nitro-1-imidazolyl)pentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-one (3aR,6S,6aS)-3-[bis(4-methoxyphenyl)-phenylmethyl]-6-[5-(2-nitroimidazol-1-yl)pentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-one (3aR,6S,6aS)-3-[bis(4-methoxyphenyl)-phenyl-methyl]-6-[5-(2-nitroimidazol-1-yl)pentyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-one
Wiley ID 1575441