EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:41031 - N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]

Default Structure
ChEBI IDCHEBI:41031
ChEBI NameN,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
Stars
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(F)c1[H])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(F)c1[H])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/c39-25-11-5-7-21(15-25)19-49-35(37(47)41-31-27-13-3-1-9-23(27)17-29(31)43)33(45)34(46)36(50-20-22-8-6-12-26(40)16-22)38(48)42-32-28-14-4-2-10-24(28)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
InChIKeyFSNSRNCFARXZOP-JQFCFGFHSA-N
ChEBI Ontology
Outgoing Relation(s)
N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] (CHEBI:41031) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3R,4R,5R)-2,5-bis[(3-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-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]PDBeChem
Manual XrefsDatabases
BE3PDBeChem