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Methyl (R)-3-benzyl-5-(ethoxycarbonyl)-6-[(R)-2'-nitro-1'-phenylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate

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Methyl (R)-3-benzyl-5-(ethoxycarbonyl)-6-[(R)-2'-nitro-1'-phenylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
SpectraBase Compound ID A2Ye4fLC5r0
InChI InChI=1S/C26H28N4O6/c1-3-36-25(32)29-17-23-22(27-18-28(23)15-19-10-6-4-7-11-19)14-26(29,24(31)35-2)21(16-30(33)34)20-12-8-5-9-13-20/h4-13,18,21H,3,14-17H2,1-2H3/t21-,26+/m0/s1
InChIKey FLOGIRVZIWXXED-HFZDXXHNSA-N
Mol Weight 492.53 g/mol
Molecular Formula C26H28N4O6
Exact Mass 492.200885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rtiuI6fMtn
Name Methyl (R)-3-benzyl-5-(ethoxycarbonyl)-6-[(R)-2'-nitro-1'-phenylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
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Formula C26H28N4O6
InChI InChI=1S/C26H28N4O6/c1-3-36-25(32)29-17-23-22(27-18-28(23)15-19-10-6-4-7-11-19)14-26(29,24(31)35-2)21(16-30(33)34)20-12-8-5-9-13-20/h4-13,18,21H,3,14-17H2,1-2H3/t21-,26+/m0/s1
InChIKey FLOGIRVZIWXXED-HFZDXXHNSA-N
Molecular Weight 492.532 g/mol
SMILES [C@@]1(N(Cc2c(C1)nc[n]2Cc1ccccc1)C(=O)OCC)([C@@](CN(=O)=O)(c1ccccc1)[H])C(=O)OC
SPLASH splash10-0006-9003100000-267b01914f87ea38f9db
Source of Spectrum Y4-40-920-6
Synonyms 5-Ethyl 6-methyl (6R)-3-benzyl-6-[(1R)-2-nitro-1-phenylethyl]-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5,6-dicarboxylate Methyl 3-benzyl-5-(ethoxycarbonyl)-6-[2'-nitro-1'-phenylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
Wiley ID 1567204