3-O-[[5-[[4-[N'-(2,2-dimethylpropoxycarbonyl)carbamimidoyl]anilino]-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]oxymethyl] 1-O-(2,2-dimethylpropyl) 2,2-dimethylpropanedioate

HCID 76166125

Completing data — refresh the page later to see the latest

HCID 76166125

Completing data — refresh the page later to see the latest

Basic information

Standard SMILES: COc1cc(OCCO)c(F)c(C(Nc2ccc(C(N)=NC(=O)OCC(C)(C)C)cc2)c2nc(OCOC(=O)C(C)(C)C(=O)OCC(C)(C)C)n(-c3ncccn3)n2)c1
InChIKey: YFJHYYTTYRTYPP-UHFFFAOYSA-N
Molecular formula: C40H51FN8O10
Average molar mass: 822.9 g/mol
Monoisotopic mass: 822.37121802

Preferred name: 3-O-[[5-[[4-[N'-(2,2-dimethylpropoxycarbonyl)carbamimidoyl]anilino]-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]oxymethyl] 1-O-(2,2-dimethylpropyl) 2,2-dimethylpropanedioate
IUPAC: 3-O-[[5-[[4-[N'-(2,2-dimethylpropoxycarbonyl)carbamimidoyl]anilino]-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]oxymethyl] 1-O-(2,2-dimethylpropyl) 2,2-dimethylpropanedioate

1 records

HRID 946956As productValidation data from https://doi.org/10.1039/C8SC04228D

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