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CHEBI:40612 - (4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one

ChEBI IDCHEBI:40612
ChEBI Name(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one
Stars
ASCII Name(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one
Last Modified17 October 2009
DownloadsMolfile
FormulaC33H34N2O5
Net Charge0
Average Mass538.644
Monoisotopic Mass538.24677
SMILES[H]O[C@]1([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])Oc2c([H])c([H])c([H])c([H])c2[H])N(C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C(=O)N(C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])[C@]1([H])C([H])([H])Oc1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C33H34N2O5/c36-31-29(23-39-27-17-9-3-10-18-27)34(21-25-13-5-1-6-14-25)33(38)35(22-26-15-7-2-8-16-26)30(32(31)37)24-40-28-19-11-4-12-20-28/h1-20,29-32,36-37H,21-24H2/t29-,30-,31+,32+/m1/s1
InChIKeySQBOSZXDOHQFAA-ZRTHHSRSSA-N
ChEBI Ontology
Outgoing Relation(s)
(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one (CHEBI:40612) is a diazepanone (CHEBI:46948)
(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one (CHEBI:40612) is a ureas (CHEBI:47857)
Synonyms  Source
(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-onePDBeChem
AHA001PDBeChem
Manual XrefsDatabases
AH1PDBeChem