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2-(O(6)-BENZYLGUAN-9-YL)-ETHYL-BETA-D-TETRA-O-ACETYL-GLUCOPYRANOSIDE
SpectraBase Compound ID HXHm0en9dcH
InChI InChI=1S/C28H33N5O11/c1-15(34)39-13-20-22(41-16(2)35)23(42-17(3)36)24(43-18(4)37)27(44-20)38-11-10-33-14-30-21-25(33)31-28(29)32-26(21)40-12-19-8-6-5-7-9-19/h5-9,14,20,22-24,27H,10-13H2,1-4H3,(H2,29,31,32)/t20-,22-,23+,24-,27-/m1/s1
InChIKey ANGGQYYGUWTDRB-UFOFBUIZSA-N
Mol Weight 615.6 g/mol
Molecular Formula C28H33N5O11
Exact Mass 615.217657 g/mol
Enantiomer InChIKey ANGGQYYGUWTDRB-HTYBUZFNSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Monosaccharide-Linked Inhibitors of O6-Methylguanine-DNA Methyltransferase (MGMT):  Synthesis, Molecular Modeling, and Structure−Activity Relationships Journal of Medicinal Chemistry 2001

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