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CHEBI:41115 - N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]

Default Structure
ChEBI IDCHEBI:41115
ChEBI NameN,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC38H38F2N2O8
Net Charge0
Average Mass688.724
Monoisotopic Mass688.25962
SMILES[H]O[C@]([H])([C@@]([H])(O[H])[C@@]([H])(OC([H])([H])c1c([H])c([H])c([H])c([H])c1F)C(=O)N([H])[C@@]1([H])c2c([H])c([H])c([H])c([H])c2C([H])([H])[C@@]1([H])O[H])[C@@]([H])(OC([H])([H])c1c([H])c([H])c([H])c([H])c1F)C(=O)N([H])[C@@]1([H])c2c([H])c([H])c([H])c([H])c2C([H])([H])[C@@]1([H])O[H]
InChIInChI=1S/C38H38F2N2O8/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
InChIKeyLYHLPPXMBKMSSZ-JQFCFGFHSA-N
ChEBI Ontology
Outgoing Relation(s)
N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] (CHEBI:41115) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3R,4R,5R)-2,5-bis[(2-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)PDBeChem
N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]PDBeChem
Manual XrefsDatabases
BEDPDBeChem