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Methyltetrazine-amido-bis-(carboxyethoxymethyl)-methane
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Methyltetrazine-amido-bis-(carboxyethoxymethyl)-methane

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Catalog NumberCCR345
IUPAC Name3-[3-(2-Carboxyethoxy)-2-[[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]propoxy]propanoic acid
Molecular Weight447.4
Molecular FormulaC20H25N5O7
Canonical SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)NC(COCCC(=O)O)COCCC(=O)O
InChIInChI=1S/C20H25N5O7/c1-13-22-24-20(25-23-13)15-4-2-14(3-5-15)10-17(26)21-16(11-31-8-6-18(27)28)12-32-9-7-19(29)30/h2-5,16H,6-12H2,1H3,(H,21,26)(H,27,28)(H,29,30)
InChI KeyOBHFMNLWSDQVTP-UHFFFAOYSA-N
ApplicationIEDDA Click Reaction
Storage-20 °C
Complexity571
Exact Mass447.17539815
Monoisotopic Mass447.17539815
Topological Polar Surface Area174Ų

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