EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:40498 - (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE

Default Structure
ChEBI IDCHEBI:40498
ChEBI Name(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC34H37N3O6
Net Charge0
Average Mass583.685
Monoisotopic Mass583.26824
SMILES[H]Oc1c([H])c([H])c(C([H])([H])N2C(=O)N(C([H])([H])c3c([H])c([H])c(O[H])c(OC([H])([H])[H])c3[H])[C@]([H])(C([H])([H])c3c([H])c([H])c([H])c([H])c3[H])[C@]([H])(O[H])C([H])([H])N2C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1OC([H])([H])[H]
InChIInChI=1S/C34H37N3O6/c1-42-32-18-26(13-15-29(32)38)21-36-28(17-24-9-5-3-6-10-24)31(40)23-35(20-25-11-7-4-8-12-25)37(34(36)41)22-27-14-16-30(39)33(19-27)43-2/h3-16,18-19,28,31,38-40H,17,20-23H2,1-2H3/t28-,31-/m1/s1
InChIKeyPMBZSBGCSQGJAQ-GRKNLSHJSA-N
ChEBI Ontology
Outgoing Relation(s)
(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE (CHEBI:40498) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1,2,4-triazepan-3-onePDBeChem
(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANEPDBeChem
Manual XrefsDatabases
A88PDBeChem