EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:44097 - N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE]

Default Structure
ChEBI IDCHEBI:44097
ChEBI NameN,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE]
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC42H52N6O8
Net Charge0
Average Mass768.912
Monoisotopic Mass768.38466
SMILES[H]O[C@]([H])([C@@]([H])(O[H])[C@@]([H])(OC([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])c1nc([H])c([H])c([H])c1[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(OC([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])c1nc([H])c([H])c([H])c1[H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C42H52N6O8/c1-27(2)33(39(51)45-23-31-19-11-13-21-43-31)47-41(53)37(55-25-29-15-7-5-8-16-29)35(49)36(50)38(56-26-30-17-9-6-10-18-30)42(54)48-34(28(3)4)40(52)46-24-32-20-12-14-22-44-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1
InChIKeySVFLQOLSPWURCD-CXPJILFNSA-N
ChEBI Ontology
Outgoing Relation(s)
N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE] (CHEBI:44097) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis{(1S)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]propyl}hexanediamide (non-preferred name)PDBeChem
N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE]PDBeChem
Manual XrefsDatabases
MS3PDBeChem